2-(1H-indazol-6-ylamino)-N-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen

C27H33N7O — CID 158328864

IUPAC2-(1H-indazol-6-ylamino)-N-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen
SMILESCN1CCN(CCCc2cccc(NC(=O)c3cccnc3Nc3ccc4cn[nH]c4c3)c2)CC1.[H][H]
InChIInChI=1S/C27H31N7O.H2/c1-33-13-15-34(16-14-33)12-4-6-20-5-2-7-22(17-20)31-27(35)24-8-3-11-28-26(24)30-23-10-9-21-19-29-32-25(21)18-23;/h2-3,5,7-11,17-19H,4,6,12-16H2,1H3,(H,28,30)(H,29,32)(H,31,35);1H
InChIKeyGPTHUQSRDWBGBE-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.38
Rot. Bonds8

About 2-(1H-indazol-6-ylamino)-N-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen

2-(1H-indazol-6-ylamino)-N-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen (PubChem CID 158328864) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is 2-(1H-indazol-6-ylamino)-N-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name2-(1H-indazol-6-ylamino)-N-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen
PubChem CID158328864
Molecular FormulaC27H33N7O
Molecular Weight471.61 g/mol
Exact Mass471.27
IUPAC Name2-(1H-indazol-6-ylamino)-N-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen
SMILESCN1CCN(CCCc2cccc(NC(=O)c3cccnc3Nc3ccc4cn[nH]c4c3)c2)CC1.[H][H]
InChIInChI=1S/C27H31N7O.H2/c1-33-13-15-34(16-14-33)12-4-6-20-5-2-7-22(17-20)31-27(35)24-8-3-11-28-26(24)30-23-10-9-21-19-29-32-25(21)18-23;/h2-3,5,7-11,17-19H,4,6,12-16H2,1H3,(H,28,30)(H,29,32)(H,31,35);1H
InChIKeyGPTHUQSRDWBGBE-UHFFFAOYSA-N
XLogP4.38
TPSA89.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(1H-indazol-6-ylamino)-N-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-indazol-6-ylamino)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen
CID 162164797
2-(1H-indazol-6-ylamino)-N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]pyridine-3-carboxamide
CID 10298783
N-[4-tert-butyl-3-[(E)-4-pyrrolidin-1-ylbut-1-enyl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
CID 10142191
2-(1H-indazol-6-ylamino)-N-(4-phenylphenyl)pyridine-3-carboxamide
CID 10272638
N-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574300
N-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
CID 68854281
N-[3-(butan-2-ylamino)-4-(2-methylbutan-2-yl)phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
CID 142165220
2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyridine-3-carboxamide;molecular hydrogen
CID 159469291
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
CID 10111176
N-(5,5-dimethyl-7-oxo-6,8-dihydro-1,8-naphthyridin-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
CID 10387796
N-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
CID 10304079
[4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 505770

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-6-ylamino)-N-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen?
The IUPAC name of 2-(1H-indazol-6-ylamino)-N-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen (CID 158328864) is 2-(1H-indazol-6-ylamino)-N-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 2-(1H-indazol-6-ylamino)-N-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen?
The canonical SMILES for 2-(1H-indazol-6-ylamino)-N-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen is CN1CCN(CCCc2cccc(NC(=O)c3cccnc3Nc3ccc4cn[nH]c4c3)c2)CC1.[H][H].
What is the InChIKey of 2-(1H-indazol-6-ylamino)-N-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen?
The InChIKey is GPTHUQSRDWBGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O.H2/c1-33-13-15-34(16-14-33)12-4-6-20-5-2-7-22(17-20)31-27(35)24-8-3-11-28-26(24)30-23-10-9-21-19-29-32-25(21)18-23;/h2-3,5,7-11,17-19H,4,6,12-16H2,1H3,(H,28,30)(H,29,32)(H,31,35);1H.
What are the key properties of 2-(1H-indazol-6-ylamino)-N-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen?
2-(1H-indazol-6-ylamino)-N-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 471.61 g/mol, XLogP of 4.38, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-6-ylamino)-N-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 158328864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).