6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-phenoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C159H173N23O24 — CID 160664917

IUPAC6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-phenoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1OC1CCCN(C)C1)CO2.COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1OC[C@@H]1CCCN1C)CO2.COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1Oc1ccccc1)CO2.COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3C)cc1OC1CCCN(C)C1)CO2.COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3C)cc1OC[C@@H]1CCCN1C)CO2.COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3C)cc1OCc1cccnc1)CO2
InChIInChI=1S/2C27H32N4O4.C27H26N4O4.2C26H30N4O4.C26H23N3O4/c1-17-23(14-28-30-17)18-6-8-24(26(13-18)35-22-5-4-10-31(2)15-22)29-27(32)20-11-19-12-21(33-3)7-9-25(19)34-16-20;1-17-23(14-28-30-17)18-6-8-24(26(13-18)35-16-21-5-4-10-31(21)2)29-27(32)20-11-19-12-22(33-3)7-9-25(19)34-15-20;1-17-23(14-29-31-17)19-5-7-24(26(12-19)34-15-18-4-3-9-28-13-18)30-27(32)21-10-20-11-22(33-2)6-8-25(20)35-16-21;1-30-9-3-4-22(15-30)34-25-12-17(20-13-27-28-14-20)5-7-23(25)29-26(31)19-10-18-11-21(32-2)6-8-24(18)33-16-19;1-30-9-3-4-21(30)16-34-25-12-17(20-13-27-28-14-20)5-7-23(25)29-26(31)19-10-18-11-22(32-2)6-8-24(18)33-15-19;1-31-22-8-10-24-18(12-22)11-19(16-32-24)26(30)29-23-9-7-17(20-14-27-28-15-20)13-25(23)33-21-5-3-2-4-6-21/h6-9,12-14,20,22H,4-5,10-11,15-16H2,1-3H3,(H,28,30)(H,29,32);6-9,12-14,20-21H,4-5,10-11,15-16H2,1-3H3,(H,28,30)(H,29,32);3-9,11-14,21H,10,15-16H2,1-2H3,(H,29,31)(H,30,32);5-8,11-14,19,22H,3-4,9-10,15-16H2,1-2H3,(H,27,28)(H,29,31);5-8,11-14,19,21H,3-4,9-10,15-16H2,1-2H3,(H,27,28)(H,29,31);2-10,12-15,19H,11,16H2,1H3,(H,27,28)(H,29,30)/t;20?,21-;;;19?,21-;/m.0..0./s1
InChIKeyRMDWGQOMFDFPGB-DJWGSDQDSA-N
MW2790.27 g/mol
LogP25.23
Rot. Bonds39

About 6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-phenoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-phenoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 160664917) has the molecular formula C159H173N23O24 and a molecular weight of 2790.27 g/mol. Its IUPAC name is 6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-phenoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-phenoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID160664917
Molecular FormulaC159H173N23O24
Molecular Weight2790.27 g/mol
Exact Mass2788.30
IUPAC Name6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-phenoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1OC1CCCN(C)C1)CO2.COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1OC[C@@H]1CCCN1C)CO2.COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1Oc1ccccc1)CO2.COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3C)cc1OC1CCCN(C)C1)CO2.COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3C)cc1OC[C@@H]1CCCN1C)CO2.COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3C)cc1OCc1cccnc1)CO2
InChIInChI=1S/2C27H32N4O4.C27H26N4O4.2C26H30N4O4.C26H23N3O4/c1-17-23(14-28-30-17)18-6-8-24(26(13-18)35-22-5-4-10-31(2)15-22)29-27(32)20-11-19-12-21(33-3)7-9-25(19)34-16-20;1-17-23(14-28-30-17)18-6-8-24(26(13-18)35-16-21-5-4-10-31(21)2)29-27(32)20-11-19-12-22(33-3)7-9-25(19)34-15-20;1-17-23(14-29-31-17)19-5-7-24(26(12-19)34-15-18-4-3-9-28-13-18)30-27(32)21-10-20-11-22(33-2)6-8-25(20)35-16-21;1-30-9-3-4-22(15-30)34-25-12-17(20-13-27-28-14-20)5-7-23(25)29-26(31)19-10-18-11-21(32-2)6-8-24(18)33-16-19;1-30-9-3-4-21(30)16-34-25-12-17(20-13-27-28-14-20)5-7-23(25)29-26(31)19-10-18-11-22(32-2)6-8-24(18)33-15-19;1-31-22-8-10-24-18(12-22)11-19(16-32-24)26(30)29-23-9-7-17(20-14-27-28-15-20)13-25(23)33-21-5-3-2-4-6-21/h6-9,12-14,20,22H,4-5,10-11,15-16H2,1-3H3,(H,28,30)(H,29,32);6-9,12-14,20-21H,4-5,10-11,15-16H2,1-3H3,(H,28,30)(H,29,32);3-9,11-14,21H,10,15-16H2,1-2H3,(H,29,31)(H,30,32);5-8,11-14,19,22H,3-4,9-10,15-16H2,1-2H3,(H,27,28)(H,29,31);5-8,11-14,19,21H,3-4,9-10,15-16H2,1-2H3,(H,27,28)(H,29,31);2-10,12-15,19H,11,16H2,1H3,(H,27,28)(H,29,30)/t;20?,21-;;;19?,21-;/m.0..0./s1
InChIKeyRMDWGQOMFDFPGB-DJWGSDQDSA-N
XLogP25.23
TPSA538.67 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds39
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002790.27
LogP ≤ 525.23
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Analyze 6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-phenoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

(3S)-6-methoxy-N-[2-[[(2S)-1-methylpiperidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 124566120
N-[2-(1-amino-1-oxopropan-2-yl)oxy-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;N-[2-(1-amino-1-oxopropan-2-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;N-[2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-pyridin-3-yloxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(1H-pyrazol-4-yl)-2-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 159254127
(3S)-N-[2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 124566166
(3S)-6-methoxy-N-[4-(1H-pyrazol-4-yl)-2-pyridin-3-yloxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 124566182
6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 58310791
(3R)-6-methoxy-N-[2-(2-phenylmethoxyethoxy)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 124566310
4-[2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-5-(1H-pyrazol-4-yl)phenoxy]piperidine-1-carboxylic acid
CID 123423770
(3R)-N-[2-[3-(dimethylamino)propoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 124566085
(3S)-N-[2-[3-(dimethylamino)phenoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 124566168
6-methoxy-N-[2-(oxolan-2-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117077248
6-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 117076137
N-[2-(3-acetamidophenoxy)-4-(1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117077148

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-phenoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-phenoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 160664917) is 6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-phenoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-phenoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-phenoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1OC1CCCN(C)C1)CO2.COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1OC[C@@H]1CCCN1C)CO2.COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1Oc1ccccc1)CO2.COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3C)cc1OC1CCCN(C)C1)CO2.COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3C)cc1OC[C@@H]1CCCN1C)CO2.COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3C)cc1OCc1cccnc1)CO2.
What is the InChIKey of 6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-phenoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is RMDWGQOMFDFPGB-DJWGSDQDSA-N. The full InChI is InChI=1S/2C27H32N4O4.C27H26N4O4.2C26H30N4O4.C26H23N3O4/c1-17-23(14-28-30-17)18-6-8-24(26(13-18)35-22-5-4-10-31(2)15-22)29-27(32)20-11-19-12-21(33-3)7-9-25(19)34-16-20;1-17-23(14-28-30-17)18-6-8-24(26(13-18)35-16-21-5-4-10-31(21)2)29-27(32)20-11-19-12-22(33-3)7-9-25(19)34-15-20;1-17-23(14-29-31-17)19-5-7-24(26(12-19)34-15-18-4-3-9-28-13-18)30-27(32)21-10-20-11-22(33-2)6-8-25(20)35-16-21;1-30-9-3-4-22(15-30)34-25-12-17(20-13-27-28-14-20)5-7-23(25)29-26(31)19-10-18-11-21(32-2)6-8-24(18)33-16-19;1-30-9-3-4-21(30)16-34-25-12-17(20-13-27-28-14-20)5-7-23(25)29-26(31)19-10-18-11-22(32-2)6-8-24(18)33-15-19;1-31-22-8-10-24-18(12-22)11-19(16-32-24)26(30)29-23-9-7-17(20-14-27-28-15-20)13-25(23)33-21-5-3-2-4-6-21/h6-9,12-14,20,22H,4-5,10-11,15-16H2,1-3H3,(H,28,30)(H,29,32);6-9,12-14,20-21H,4-5,10-11,15-16H2,1-3H3,(H,28,30)(H,29,32);3-9,11-14,21H,10,15-16H2,1-2H3,(H,29,31)(H,30,32);5-8,11-14,19,22H,3-4,9-10,15-16H2,1-2H3,(H,27,28)(H,29,31);5-8,11-14,19,21H,3-4,9-10,15-16H2,1-2H3,(H,27,28)(H,29,31);2-10,12-15,19H,11,16H2,1H3,(H,27,28)(H,29,30)/t;20?,21-;;;19?,21-;/m.0..0./s1.
What are the key properties of 6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-phenoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-phenoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 2790.27 g/mol, XLogP of 25.23, 39 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-(1-methylpiperidin-3-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;6-methoxy-N-[2-phenoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 160664917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).