5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

C28H30F2N8O — CID 89450783

IUPAC5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCNCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12
InChIInChI=1S/C28H30F2N8O/c29-28(30)5-9-37(10-6-28)18-19-13-21(16-32-15-19)20-1-3-24-23(14-20)26(36-35-24)27(39)34-22-2-4-25(33-17-22)38-11-7-31-8-12-38/h1-4,13-17,31H,5-12,18H2,(H,34,39)(H,35,36)
InChIKeyAFBGXZRKKVXPSI-UHFFFAOYSA-N
MW532.60 g/mol
LogP3.91
Rot. Bonds6

About 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 89450783) has the molecular formula C28H30F2N8O and a molecular weight of 532.60 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID89450783
Molecular FormulaC28H30F2N8O
Molecular Weight532.60 g/mol
Exact Mass532.25
IUPAC Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCNCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12
InChIInChI=1S/C28H30F2N8O/c29-28(30)5-9-37(10-6-28)18-19-13-21(16-32-15-19)20-1-3-24-23(14-20)26(36-35-24)27(39)34-22-2-4-25(33-17-22)38-11-7-31-8-12-38/h1-4,13-17,31H,5-12,18H2,(H,34,39)(H,35,36)
InChIKeyAFBGXZRKKVXPSI-UHFFFAOYSA-N
XLogP3.91
TPSA102.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.60
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 89450783) is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(N2CCNCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.
What is the InChIKey of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is AFBGXZRKKVXPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N8O/c29-28(30)5-9-37(10-6-28)18-19-13-21(16-32-15-19)20-1-3-24-23(14-20)26(36-35-24)27(39)34-22-2-4-25(33-17-22)38-11-7-31-8-12-38/h1-4,13-17,31H,5-12,18H2,(H,34,39)(H,35,36).
What are the key properties of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 532.60 g/mol, XLogP of 3.91, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).