N-[1-[(2,6-difluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;bis(N-[1-[(2-fluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide);N-[1-(2-phenylethyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;3-pyridin-4-yl-N-[1-(pyridin-2-ylmethyl)azepan-3-yl]-1H-indazole-5-carboxamide

C130H132F4N26O5 — CID 158511055

IUPACN-[1-[(2,6-difluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;bis(N-[1-[(2-fluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide);N-[1-(2-phenylethyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;3-pyridin-4-yl-N-[1-(pyridin-2-ylmethyl)azepan-3-yl]-1H-indazole-5-carboxamide
SMILESO=C(NC1CCCCN(CCc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1.O=C(NC1CCCCN(Cc2c(F)cccc2F)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1.O=C(NC1CCCCN(Cc2ccccc2F)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1.O=C(NC1CCCCN(Cc2ccccc2F)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1.O=C(NC1CCCCN(Cc2ccccn2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C27H29N5O.C26H25F2N5O.2C26H26FN5O.C25H26N6O/c33-27(22-9-10-25-24(18-22)26(31-30-25)21-11-14-28-15-12-21)29-23-8-4-5-16-32(19-23)17-13-20-6-2-1-3-7-20;27-22-5-3-6-23(28)21(22)16-33-13-2-1-4-19(15-33)30-26(34)18-7-8-24-20(14-18)25(32-31-24)17-9-11-29-12-10-17;2*27-23-7-2-1-5-20(23)16-32-14-4-3-6-21(17-32)29-26(33)19-8-9-24-22(15-19)25(31-30-24)18-10-12-28-13-11-18;32-25(28-21-6-2-4-14-31(17-21)16-20-5-1-3-11-27-20)19-7-8-23-22(15-19)24(30-29-23)18-9-12-26-13-10-18/h1-3,6-7,9-12,14-15,18,23H,4-5,8,13,16-17,19H2,(H,29,33)(H,30,31);3,5-12,14,19H,1-2,4,13,15-16H2,(H,30,34)(H,31,32);2*1-2,5,7-13,15,21H,3-4,6,14,16-17H2,(H,29,33)(H,30,31);1,3,5,7-13,15,21H,2,4,6,14,16-17H2,(H,28,32)(H,29,30)
InChIKeyHLBCKRSBPCAOGS-UHFFFAOYSA-N
MW2214.65 g/mol
LogP22.04
Rot. Bonds26

About N-[1-[(2,6-difluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;bis(N-[1-[(2-fluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide);N-[1-(2-phenylethyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;3-pyridin-4-yl-N-[1-(pyridin-2-ylmethyl)azepan-3-yl]-1H-indazole-5-carboxamide

N-[1-[(2,6-difluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;bis(N-[1-[(2-fluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide);N-[1-(2-phenylethyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;3-pyridin-4-yl-N-[1-(pyridin-2-ylmethyl)azepan-3-yl]-1H-indazole-5-carboxamide (PubChem CID 158511055) has the molecular formula C130H132F4N26O5 and a molecular weight of 2214.65 g/mol. Its IUPAC name is N-[1-[(2,6-difluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;bis(N-[1-[(2-fluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide);N-[1-(2-phenylethyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;3-pyridin-4-yl-N-[1-(pyridin-2-ylmethyl)azepan-3-yl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-difluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;bis(N-[1-[(2-fluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide);N-[1-(2-phenylethyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;3-pyridin-4-yl-N-[1-(pyridin-2-ylmethyl)azepan-3-yl]-1H-indazole-5-carboxamide
PubChem CID158511055
Molecular FormulaC130H132F4N26O5
Molecular Weight2214.65 g/mol
Exact Mass2213.08
IUPAC NameN-[1-[(2,6-difluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;bis(N-[1-[(2-fluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide);N-[1-(2-phenylethyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;3-pyridin-4-yl-N-[1-(pyridin-2-ylmethyl)azepan-3-yl]-1H-indazole-5-carboxamide
SMILESO=C(NC1CCCCN(CCc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1.O=C(NC1CCCCN(Cc2c(F)cccc2F)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1.O=C(NC1CCCCN(Cc2ccccc2F)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1.O=C(NC1CCCCN(Cc2ccccc2F)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1.O=C(NC1CCCCN(Cc2ccccn2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C27H29N5O.C26H25F2N5O.2C26H26FN5O.C25H26N6O/c33-27(22-9-10-25-24(18-22)26(31-30-25)21-11-14-28-15-12-21)29-23-8-4-5-16-32(19-23)17-13-20-6-2-1-3-7-20;27-22-5-3-6-23(28)21(22)16-33-13-2-1-4-19(15-33)30-26(34)18-7-8-24-20(14-18)25(32-31-24)17-9-11-29-12-10-17;2*27-23-7-2-1-5-20(23)16-32-14-4-3-6-21(17-32)29-26(33)19-8-9-24-22(15-19)25(31-30-24)18-10-12-28-13-11-18;32-25(28-21-6-2-4-14-31(17-21)16-20-5-1-3-11-27-20)19-7-8-23-22(15-19)24(30-29-23)18-9-12-26-13-10-18/h1-3,6-7,9-12,14-15,18,23H,4-5,8,13,16-17,19H2,(H,29,33)(H,30,31);3,5-12,14,19H,1-2,4,13,15-16H2,(H,30,34)(H,31,32);2*1-2,5,7-13,15,21H,3-4,6,14,16-17H2,(H,29,33)(H,30,31);1,3,5,7-13,15,21H,2,4,6,14,16-17H2,(H,28,32)(H,29,30)
InChIKeyHLBCKRSBPCAOGS-UHFFFAOYSA-N
XLogP22.04
TPSA382.44 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds26
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002214.65
LogP ≤ 522.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Analyze N-[1-[(2,6-difluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;bis(N-[1-[(2-fluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide);N-[1-(2-phenylethyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;3-pyridin-4-yl-N-[1-(pyridin-2-ylmethyl)azepan-3-yl]-1H-indazole-5-carboxamide with MolForge

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Related Compounds

N-[(1S,5S)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 89509100
N-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-[2-[3-fluoro-5-[2-[6-[(3-pyridin-4-yl-1H-indazole-5-carbonyl)amino]-1,4-oxazepan-4-yl]ethyl]phenyl]-6-methyl-4-pyridinyl]-1H-indazole-5-carboxamide
CID 123169287
5-[1-[difluoro-[3-[5-[(3-fluorophenyl)carbamoyl]-1H-pyrrol-3-yl]-1H-indazol-5-yl]methyl]-5-(trifluoromethyl)indazol-3-yl]-N-(3-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 136022509
N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137087958
N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137102862
5-(5-fluoro-3-pyridinyl)-1-[1-[[5-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]-2-pyridinyl]methyl]pyrrolidin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide
CID 144555306
N-[5-[6-fluoro-7-[2-fluoro-5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 145034805
5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157093602
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157147381
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
CID 157157559
5-(5-amino-3-pyridinyl)-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157161323
5-(5-amino-3-pyridinyl)-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 157165576

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;bis(N-[1-[(2-fluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide);N-[1-(2-phenylethyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;3-pyridin-4-yl-N-[1-(pyridin-2-ylmethyl)azepan-3-yl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;bis(N-[1-[(2-fluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide);N-[1-(2-phenylethyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;3-pyridin-4-yl-N-[1-(pyridin-2-ylmethyl)azepan-3-yl]-1H-indazole-5-carboxamide (CID 158511055) is N-[1-[(2,6-difluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;bis(N-[1-[(2-fluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide);N-[1-(2-phenylethyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;3-pyridin-4-yl-N-[1-(pyridin-2-ylmethyl)azepan-3-yl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[1-[(2,6-difluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;bis(N-[1-[(2-fluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide);N-[1-(2-phenylethyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;3-pyridin-4-yl-N-[1-(pyridin-2-ylmethyl)azepan-3-yl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[1-[(2,6-difluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;bis(N-[1-[(2-fluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide);N-[1-(2-phenylethyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;3-pyridin-4-yl-N-[1-(pyridin-2-ylmethyl)azepan-3-yl]-1H-indazole-5-carboxamide is O=C(NC1CCCCN(CCc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1.O=C(NC1CCCCN(Cc2c(F)cccc2F)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1.O=C(NC1CCCCN(Cc2ccccc2F)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1.O=C(NC1CCCCN(Cc2ccccc2F)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1.O=C(NC1CCCCN(Cc2ccccn2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of N-[1-[(2,6-difluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;bis(N-[1-[(2-fluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide);N-[1-(2-phenylethyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;3-pyridin-4-yl-N-[1-(pyridin-2-ylmethyl)azepan-3-yl]-1H-indazole-5-carboxamide?
The InChIKey is HLBCKRSBPCAOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O.C26H25F2N5O.2C26H26FN5O.C25H26N6O/c33-27(22-9-10-25-24(18-22)26(31-30-25)21-11-14-28-15-12-21)29-23-8-4-5-16-32(19-23)17-13-20-6-2-1-3-7-20;27-22-5-3-6-23(28)21(22)16-33-13-2-1-4-19(15-33)30-26(34)18-7-8-24-20(14-18)25(32-31-24)17-9-11-29-12-10-17;2*27-23-7-2-1-5-20(23)16-32-14-4-3-6-21(17-32)29-26(33)19-8-9-24-22(15-19)25(31-30-24)18-10-12-28-13-11-18;32-25(28-21-6-2-4-14-31(17-21)16-20-5-1-3-11-27-20)19-7-8-23-22(15-19)24(30-29-23)18-9-12-26-13-10-18/h1-3,6-7,9-12,14-15,18,23H,4-5,8,13,16-17,19H2,(H,29,33)(H,30,31);3,5-12,14,19H,1-2,4,13,15-16H2,(H,30,34)(H,31,32);2*1-2,5,7-13,15,21H,3-4,6,14,16-17H2,(H,29,33)(H,30,31);1,3,5,7-13,15,21H,2,4,6,14,16-17H2,(H,28,32)(H,29,30).
What are the key properties of N-[1-[(2,6-difluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;bis(N-[1-[(2-fluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide);N-[1-(2-phenylethyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;3-pyridin-4-yl-N-[1-(pyridin-2-ylmethyl)azepan-3-yl]-1H-indazole-5-carboxamide?
N-[1-[(2,6-difluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;bis(N-[1-[(2-fluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide);N-[1-(2-phenylethyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;3-pyridin-4-yl-N-[1-(pyridin-2-ylmethyl)azepan-3-yl]-1H-indazole-5-carboxamide has a molecular weight of 2214.65 g/mol, XLogP of 22.04, 26 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-difluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;bis(N-[1-[(2-fluorophenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide);N-[1-(2-phenylethyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;3-pyridin-4-yl-N-[1-(pyridin-2-ylmethyl)azepan-3-yl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 158511055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).