2-[4-(2-aminopyrimidin-4-yl)-2-[2-(dimethylamino)ethoxy]phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-butyl-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide

C153H168F4N18O21 — CID 158971670

IUPAC2-[4-(2-aminopyrimidin-4-yl)-2-[2-(dimethylamino)ethoxy]phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-butyl-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCCCCN(C)C(=O)c1ccc2c(c1)CC(C(=O)Cc1ccc(-c3cn[nH]c3)cc1OC)CO2.CN(C)CCOc1cc(-c2ccnc(N)n2)ccc1CC(=O)C1COc2c(F)cccc2C1.CN(C)CCOc1cc(-c2ccncc2)ccc1CC(=O)C1COc2c(F)cccc2C1.CN(C)CCOc1cc(-c2cn[nH]c2)ccc1CC(=O)C1COc2c(F)cccc2C1.COCCN(C)C(=O)c1ccc2c(c1)CC(C(=O)Cc1ccc(-c3cn[nH]c3)cc1OC)CO2.Cc1[nH]ncc1-c1ccc(CC(=O)C2COc3c(F)cccc3C2)c(OCCN(C)C)c1
InChIInChI=1S/C27H31N3O4.C26H27FN2O3.C26H29N3O5.C25H27FN4O3.C25H28FN3O3.C24H26FN3O3/c1-4-5-10-30(2)27(32)20-8-9-25-21(11-20)12-22(17-34-25)24(31)13-19-7-6-18(14-26(19)33-3)23-15-28-29-16-23;1-29(2)12-13-31-25-16-19(18-8-10-28-11-9-18)6-7-20(25)15-24(30)22-14-21-4-3-5-23(27)26(21)32-17-22;1-29(8-9-32-2)26(31)19-6-7-24-20(10-19)11-21(16-34-24)23(30)12-18-5-4-17(13-25(18)33-3)22-14-27-28-15-22;1-30(2)10-11-32-23-14-16(21-8-9-28-25(27)29-21)6-7-17(23)13-22(31)19-12-18-4-3-5-20(26)24(18)33-15-19;1-16-21(14-27-28-16)17-7-8-18(24(13-17)31-10-9-29(2)3)12-23(30)20-11-19-5-4-6-22(26)25(19)32-15-20;1-28(2)8-9-30-23-12-16(20-13-26-27-14-20)6-7-17(23)11-22(29)19-10-18-4-3-5-21(25)24(18)31-15-19/h6-9,11,14-16,22H,4-5,10,12-13,17H2,1-3H3,(H,28,29);3-11,16,22H,12-15,17H2,1-2H3;4-7,10,13-15,21H,8-9,11-12,16H2,1-3H3,(H,27,28);3-9,14,19H,10-13,15H2,1-2H3,(H2,27,28,29);4-8,13-14,20H,9-12,15H2,1-3H3,(H,27,28);3-7,12-14,19H,8-11,15H2,1-2H3,(H,26,27)
InChIKeyJNWZJMTWPZMJSN-UHFFFAOYSA-N
MW2671.12 g/mol
LogP22.19
Rot. Bonds50

About 2-[4-(2-aminopyrimidin-4-yl)-2-[2-(dimethylamino)ethoxy]phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-butyl-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide

2-[4-(2-aminopyrimidin-4-yl)-2-[2-(dimethylamino)ethoxy]phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-butyl-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 158971670) has the molecular formula C153H168F4N18O21 and a molecular weight of 2671.12 g/mol. Its IUPAC name is 2-[4-(2-aminopyrimidin-4-yl)-2-[2-(dimethylamino)ethoxy]phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-butyl-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound Name2-[4-(2-aminopyrimidin-4-yl)-2-[2-(dimethylamino)ethoxy]phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-butyl-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID158971670
Molecular FormulaC153H168F4N18O21
Molecular Weight2671.12 g/mol
Exact Mass2669.26
IUPAC Name2-[4-(2-aminopyrimidin-4-yl)-2-[2-(dimethylamino)ethoxy]phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-butyl-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCCCCN(C)C(=O)c1ccc2c(c1)CC(C(=O)Cc1ccc(-c3cn[nH]c3)cc1OC)CO2.CN(C)CCOc1cc(-c2ccnc(N)n2)ccc1CC(=O)C1COc2c(F)cccc2C1.CN(C)CCOc1cc(-c2ccncc2)ccc1CC(=O)C1COc2c(F)cccc2C1.CN(C)CCOc1cc(-c2cn[nH]c2)ccc1CC(=O)C1COc2c(F)cccc2C1.COCCN(C)C(=O)c1ccc2c(c1)CC(C(=O)Cc1ccc(-c3cn[nH]c3)cc1OC)CO2.Cc1[nH]ncc1-c1ccc(CC(=O)C2COc3c(F)cccc3C2)c(OCCN(C)C)c1
InChIInChI=1S/C27H31N3O4.C26H27FN2O3.C26H29N3O5.C25H27FN4O3.C25H28FN3O3.C24H26FN3O3/c1-4-5-10-30(2)27(32)20-8-9-25-21(11-20)12-22(17-34-25)24(31)13-19-7-6-18(14-26(19)33-3)23-15-28-29-16-23;1-29(2)12-13-31-25-16-19(18-8-10-28-11-9-18)6-7-20(25)15-24(30)22-14-21-4-3-5-23(27)26(21)32-17-22;1-29(8-9-32-2)26(31)19-6-7-24-20(10-19)11-21(16-34-24)23(30)12-18-5-4-17(13-25(18)33-3)22-14-27-28-15-22;1-30(2)10-11-32-23-14-16(21-8-9-28-25(27)29-21)6-7-17(23)13-22(31)19-12-18-4-3-5-20(26)24(18)33-15-19;1-16-21(14-27-28-16)17-7-8-18(24(13-17)31-10-9-29(2)3)12-23(30)20-11-19-5-4-6-22(26)25(19)32-15-20;1-28(2)8-9-30-23-12-16(20-13-26-27-14-20)6-7-17(23)11-22(29)19-10-18-4-3-5-21(25)24(18)31-15-19/h6-9,11,14-16,22H,4-5,10,12-13,17H2,1-3H3,(H,28,29);3-11,16,22H,12-15,17H2,1-2H3;4-7,10,13-15,21H,8-9,11-12,16H2,1-3H3,(H,27,28);3-9,14,19H,10-13,15H2,1-2H3,(H2,27,28,29);4-8,13-14,20H,9-12,15H2,1-3H3,(H,27,28);3-7,12-14,19H,8-11,15H2,1-2H3,(H,26,27)
InChIKeyJNWZJMTWPZMJSN-UHFFFAOYSA-N
XLogP22.19
TPSA455.40 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds50
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002671.12
LogP ≤ 522.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Analyze 2-[4-(2-aminopyrimidin-4-yl)-2-[2-(dimethylamino)ethoxy]phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-butyl-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopyrimidin-4-yl)-2-[2-(dimethylamino)ethoxy]phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-butyl-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of 2-[4-(2-aminopyrimidin-4-yl)-2-[2-(dimethylamino)ethoxy]phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-butyl-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide (CID 158971670) is 2-[4-(2-aminopyrimidin-4-yl)-2-[2-(dimethylamino)ethoxy]phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-butyl-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for 2-[4-(2-aminopyrimidin-4-yl)-2-[2-(dimethylamino)ethoxy]phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-butyl-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for 2-[4-(2-aminopyrimidin-4-yl)-2-[2-(dimethylamino)ethoxy]phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-butyl-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide is CCCCN(C)C(=O)c1ccc2c(c1)CC(C(=O)Cc1ccc(-c3cn[nH]c3)cc1OC)CO2.CN(C)CCOc1cc(-c2ccnc(N)n2)ccc1CC(=O)C1COc2c(F)cccc2C1.CN(C)CCOc1cc(-c2ccncc2)ccc1CC(=O)C1COc2c(F)cccc2C1.CN(C)CCOc1cc(-c2cn[nH]c2)ccc1CC(=O)C1COc2c(F)cccc2C1.COCCN(C)C(=O)c1ccc2c(c1)CC(C(=O)Cc1ccc(-c3cn[nH]c3)cc1OC)CO2.Cc1[nH]ncc1-c1ccc(CC(=O)C2COc3c(F)cccc3C2)c(OCCN(C)C)c1.
What is the InChIKey of 2-[4-(2-aminopyrimidin-4-yl)-2-[2-(dimethylamino)ethoxy]phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-butyl-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is JNWZJMTWPZMJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4.C26H27FN2O3.C26H29N3O5.C25H27FN4O3.C25H28FN3O3.C24H26FN3O3/c1-4-5-10-30(2)27(32)20-8-9-25-21(11-20)12-22(17-34-25)24(31)13-19-7-6-18(14-26(19)33-3)23-15-28-29-16-23;1-29(2)12-13-31-25-16-19(18-8-10-28-11-9-18)6-7-20(25)15-24(30)22-14-21-4-3-5-23(27)26(21)32-17-22;1-29(8-9-32-2)26(31)19-6-7-24-20(10-19)11-21(16-34-24)23(30)12-18-5-4-17(13-25(18)33-3)22-14-27-28-15-22;1-30(2)10-11-32-23-14-16(21-8-9-28-25(27)29-21)6-7-17(23)13-22(31)19-12-18-4-3-5-20(26)24(18)33-15-19;1-16-21(14-27-28-16)17-7-8-18(24(13-17)31-10-9-29(2)3)12-23(30)20-11-19-5-4-6-22(26)25(19)32-15-20;1-28(2)8-9-30-23-12-16(20-13-26-27-14-20)6-7-17(23)11-22(29)19-10-18-4-3-5-21(25)24(18)31-15-19/h6-9,11,14-16,22H,4-5,10,12-13,17H2,1-3H3,(H,28,29);3-11,16,22H,12-15,17H2,1-2H3;4-7,10,13-15,21H,8-9,11-12,16H2,1-3H3,(H,27,28);3-9,14,19H,10-13,15H2,1-2H3,(H2,27,28,29);4-8,13-14,20H,9-12,15H2,1-3H3,(H,27,28);3-7,12-14,19H,8-11,15H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-(2-aminopyrimidin-4-yl)-2-[2-(dimethylamino)ethoxy]phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-butyl-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
2-[4-(2-aminopyrimidin-4-yl)-2-[2-(dimethylamino)ethoxy]phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-butyl-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 2671.12 g/mol, XLogP of 22.19, 50 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopyrimidin-4-yl)-2-[2-(dimethylamino)ethoxy]phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-butyl-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;2-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)ethanone;N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 158971670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).