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

C28H29F2N7O2 — CID 89451265

IUPACN-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCC(F)(F)C2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12
InChIInChI=1S/C28H29F2N7O2/c29-28(30)7-10-37(17-28)25-4-2-21(15-32-25)33-27(39)26-23-12-19(1-3-24(23)34-35-26)20-11-18(13-31-14-20)16-36-8-5-22(38)6-9-36/h1-4,11-15,22,38H,5-10,16-17H2,(H,33,39)(H,34,35)
InChIKeyQPZAWSTWYAKJKK-UHFFFAOYSA-N
MW533.58 g/mol
LogP4.07
Rot. Bonds6

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

N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89451265) has the molecular formula C28H29F2N7O2 and a molecular weight of 533.58 g/mol. Its IUPAC name is N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89451265
Molecular FormulaC28H29F2N7O2
Molecular Weight533.58 g/mol
Exact Mass533.24
IUPAC NameN-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCC(F)(F)C2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12
InChIInChI=1S/C28H29F2N7O2/c29-28(30)7-10-37(17-28)25-4-2-21(15-32-25)33-27(39)26-23-12-19(1-3-24(23)34-35-26)20-11-18(13-31-14-20)16-36-8-5-22(38)6-9-36/h1-4,11-15,22,38H,5-10,16-17H2,(H,33,39)(H,34,35)
InChIKeyQPZAWSTWYAKJKK-UHFFFAOYSA-N
XLogP4.07
TPSA110.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.58
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-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 N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89451265) is N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(N2CCC(F)(F)C2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.
What is the InChIKey of N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is QPZAWSTWYAKJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N7O2/c29-28(30)7-10-37(17-28)25-4-2-21(15-32-25)33-27(39)26-23-12-19(1-3-24(23)34-35-26)20-11-18(13-31-14-20)16-36-8-5-22(38)6-9-36/h1-4,11-15,22,38H,5-10,16-17H2,(H,33,39)(H,34,35).
What are the key properties of N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 533.58 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89451265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).