N-[(4-cyano-1H-indazol-7-yl)methyl]-6-ethoxy-N-methyl-5-phenylpyridine-2-carboxamide;4-(3-cyanophenyl)-3-cyclobutyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;4-(3-cyanophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide;4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide

C102H89FN16O10 — CID 167593654

IUPACN-[(4-cyano-1H-indazol-7-yl)methyl]-6-ethoxy-N-methyl-5-phenylpyridine-2-carboxamide;4-(3-cyanophenyl)-3-cyclobutyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;4-(3-cyanophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide;4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide
SMILESCCOc1nc(C(=O)N(C)Cc2ccc(C#N)c3cn[nH]c23)ccc1-c1ccccc1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(C#N)c2)c(OC2CCC2)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(C#N)c2)c(OC2COC2)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2COC2)c1
InChIInChI=1S/C27H24N4O2.C26H22N4O3.C25H22FN3O3.C24H21N5O2/c1-31(17-22-8-3-7-21-16-29-30-26(21)22)27(32)20-11-12-24(19-6-2-5-18(13-19)15-28)25(14-20)33-23-9-4-10-23;1-30(14-21-7-3-6-20-13-28-29-25(20)21)26(31)19-8-9-23(18-5-2-4-17(10-18)12-27)24(11-19)33-22-15-32-16-22;1-29(13-19-6-2-5-18-12-27-28-24(18)19)25(30)17-8-9-22(16-4-3-7-20(26)10-16)23(11-17)32-21-14-31-15-21;1-3-31-23-19(16-7-5-4-6-8-16)11-12-21(27-23)24(30)29(2)15-18-10-9-17(13-25)20-14-26-28-22(18)20/h2-3,5-8,11-14,16,23H,4,9-10,17H2,1H3,(H,29,30);2-11,13,22H,14-16H2,1H3,(H,28,29);2-12,21H,13-15H2,1H3,(H,27,28);4-12,14H,3,15H2,1-2H3,(H,26,28)
InChIKeyITDVWXCBDNOJSL-UHFFFAOYSA-N
MW1717.93 g/mol
LogP18.04
Rot. Bonds24

About N-[(4-cyano-1H-indazol-7-yl)methyl]-6-ethoxy-N-methyl-5-phenylpyridine-2-carboxamide;4-(3-cyanophenyl)-3-cyclobutyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;4-(3-cyanophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide;4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide

N-[(4-cyano-1H-indazol-7-yl)methyl]-6-ethoxy-N-methyl-5-phenylpyridine-2-carboxamide;4-(3-cyanophenyl)-3-cyclobutyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;4-(3-cyanophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide;4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide (PubChem CID 167593654) has the molecular formula C102H89FN16O10 and a molecular weight of 1717.93 g/mol. Its IUPAC name is N-[(4-cyano-1H-indazol-7-yl)methyl]-6-ethoxy-N-methyl-5-phenylpyridine-2-carboxamide;4-(3-cyanophenyl)-3-cyclobutyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;4-(3-cyanophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide;4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide.

Molecular Properties

Compound NameN-[(4-cyano-1H-indazol-7-yl)methyl]-6-ethoxy-N-methyl-5-phenylpyridine-2-carboxamide;4-(3-cyanophenyl)-3-cyclobutyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;4-(3-cyanophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide;4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide
PubChem CID167593654
Molecular FormulaC102H89FN16O10
Molecular Weight1717.93 g/mol
Exact Mass1716.69
IUPAC NameN-[(4-cyano-1H-indazol-7-yl)methyl]-6-ethoxy-N-methyl-5-phenylpyridine-2-carboxamide;4-(3-cyanophenyl)-3-cyclobutyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;4-(3-cyanophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide;4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide
SMILESCCOc1nc(C(=O)N(C)Cc2ccc(C#N)c3cn[nH]c23)ccc1-c1ccccc1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(C#N)c2)c(OC2CCC2)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(C#N)c2)c(OC2COC2)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2COC2)c1
InChIInChI=1S/C27H24N4O2.C26H22N4O3.C25H22FN3O3.C24H21N5O2/c1-31(17-22-8-3-7-21-16-29-30-26(21)22)27(32)20-11-12-24(19-6-2-5-18(13-19)15-28)25(14-20)33-23-9-4-10-23;1-30(14-21-7-3-6-20-13-28-29-25(20)21)26(31)19-8-9-23(18-5-2-4-17(10-18)12-27)24(11-19)33-22-15-32-16-22;1-29(13-19-6-2-5-18-12-27-28-24(18)19)25(30)17-8-9-22(16-4-3-7-20(26)10-16)23(11-17)32-21-14-31-15-21;1-3-31-23-19(16-7-5-4-6-8-16)11-12-21(27-23)24(30)29(2)15-18-10-9-17(13-25)20-14-26-28-22(18)20/h2-3,5-8,11-14,16,23H,4,9-10,17H2,1H3,(H,29,30);2-11,13,22H,14-16H2,1H3,(H,28,29);2-12,21H,13-15H2,1H3,(H,27,28);4-12,14H,3,15H2,1-2H3,(H,26,28)
InChIKeyITDVWXCBDNOJSL-UHFFFAOYSA-N
XLogP18.04
TPSA335.60 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001717.93
LogP ≤ 518.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze N-[(4-cyano-1H-indazol-7-yl)methyl]-6-ethoxy-N-methyl-5-phenylpyridine-2-carboxamide;4-(3-cyanophenyl)-3-cyclobutyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;4-(3-cyanophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide;4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-1H-indazol-7-yl)methyl]-6-ethoxy-N-methyl-5-phenylpyridine-2-carboxamide;4-(3-cyanophenyl)-3-cyclobutyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;4-(3-cyanophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide;4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide?
The IUPAC name of N-[(4-cyano-1H-indazol-7-yl)methyl]-6-ethoxy-N-methyl-5-phenylpyridine-2-carboxamide;4-(3-cyanophenyl)-3-cyclobutyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;4-(3-cyanophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide;4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide (CID 167593654) is N-[(4-cyano-1H-indazol-7-yl)methyl]-6-ethoxy-N-methyl-5-phenylpyridine-2-carboxamide;4-(3-cyanophenyl)-3-cyclobutyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;4-(3-cyanophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide;4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide.
What is the SMILES notation for N-[(4-cyano-1H-indazol-7-yl)methyl]-6-ethoxy-N-methyl-5-phenylpyridine-2-carboxamide;4-(3-cyanophenyl)-3-cyclobutyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;4-(3-cyanophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide;4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide?
The canonical SMILES for N-[(4-cyano-1H-indazol-7-yl)methyl]-6-ethoxy-N-methyl-5-phenylpyridine-2-carboxamide;4-(3-cyanophenyl)-3-cyclobutyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;4-(3-cyanophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide;4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide is CCOc1nc(C(=O)N(C)Cc2ccc(C#N)c3cn[nH]c23)ccc1-c1ccccc1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(C#N)c2)c(OC2CCC2)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(C#N)c2)c(OC2COC2)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2COC2)c1.
What is the InChIKey of N-[(4-cyano-1H-indazol-7-yl)methyl]-6-ethoxy-N-methyl-5-phenylpyridine-2-carboxamide;4-(3-cyanophenyl)-3-cyclobutyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;4-(3-cyanophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide;4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide?
The InChIKey is ITDVWXCBDNOJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2.C26H22N4O3.C25H22FN3O3.C24H21N5O2/c1-31(17-22-8-3-7-21-16-29-30-26(21)22)27(32)20-11-12-24(19-6-2-5-18(13-19)15-28)25(14-20)33-23-9-4-10-23;1-30(14-21-7-3-6-20-13-28-29-25(20)21)26(31)19-8-9-23(18-5-2-4-17(10-18)12-27)24(11-19)33-22-15-32-16-22;1-29(13-19-6-2-5-18-12-27-28-24(18)19)25(30)17-8-9-22(16-4-3-7-20(26)10-16)23(11-17)32-21-14-31-15-21;1-3-31-23-19(16-7-5-4-6-8-16)11-12-21(27-23)24(30)29(2)15-18-10-9-17(13-25)20-14-26-28-22(18)20/h2-3,5-8,11-14,16,23H,4,9-10,17H2,1H3,(H,29,30);2-11,13,22H,14-16H2,1H3,(H,28,29);2-12,21H,13-15H2,1H3,(H,27,28);4-12,14H,3,15H2,1-2H3,(H,26,28).
What are the key properties of N-[(4-cyano-1H-indazol-7-yl)methyl]-6-ethoxy-N-methyl-5-phenylpyridine-2-carboxamide;4-(3-cyanophenyl)-3-cyclobutyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;4-(3-cyanophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide;4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide?
N-[(4-cyano-1H-indazol-7-yl)methyl]-6-ethoxy-N-methyl-5-phenylpyridine-2-carboxamide;4-(3-cyanophenyl)-3-cyclobutyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;4-(3-cyanophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide;4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide has a molecular weight of 1717.93 g/mol, XLogP of 18.04, 24 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-1H-indazol-7-yl)methyl]-6-ethoxy-N-methyl-5-phenylpyridine-2-carboxamide;4-(3-cyanophenyl)-3-cyclobutyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;4-(3-cyanophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide;4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide is sourced from PubChem (CID 167593654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).