N-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C28H30FN7O — CID 89450334

IUPACN-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESC1CCN(CC1)CC2=CC(=CN=C2)C3=CC4=C(C=C3)NN=C4C(=O)NC5=CC(=C(N=C5)N6CCCC6)F
InChIInChI=1S/C28H30FN7O/c29-24-14-22(17-31-27(24)36-10-4-5-11-36)32-28(37)26-23-13-20(6-7-25(23)33-34-26)21-12-19(15-30-16-21)18-35-8-2-1-3-9-35/h6-7,12-17H,1-5,8-11,18H2,(H,32,37)(H,33,34)
InChIKeyUUHQSJDFVFAXOO-UHFFFAOYSA-N
MW499.60 g/mol
LogP3.90
Rot. Bonds6

About N-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450334) has the molecular formula C28H30FN7O and a molecular weight of 499.60 g/mol. Its IUPAC name is N-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89450334
Molecular FormulaC28H30FN7O
Molecular Weight499.60 g/mol
Exact Mass499.25
IUPAC NameN-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESC1CCN(CC1)CC2=CC(=CN=C2)C3=CC4=C(C=C3)NN=C4C(=O)NC5=CC(=C(N=C5)N6CCCC6)F
InChIInChI=1S/C28H30FN7O/c29-24-14-22(17-31-27(24)36-10-4-5-11-36)32-28(37)26-23-13-20(6-7-25(23)33-34-26)21-12-19(15-30-16-21)18-35-8-2-1-3-9-35/h6-7,12-17H,1-5,8-11,18H2,(H,32,37)(H,33,34)
InChIKeyUUHQSJDFVFAXOO-UHFFFAOYSA-N
XLogP3.90
TPSA90.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity761

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.60
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-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-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450334) is N-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is C1CCN(CC1)CC2=CC(=CN=C2)C3=CC4=C(C=C3)NN=C4C(=O)NC5=CC(=C(N=C5)N6CCCC6)F.
What is the InChIKey of N-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is UUHQSJDFVFAXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN7O/c29-24-14-22(17-31-27(24)36-10-4-5-11-36)32-28(37)26-23-13-20(6-7-25(23)33-34-26)21-12-19(15-30-16-21)18-35-8-2-1-3-9-35/h6-7,12-17H,1-5,8-11,18H2,(H,32,37)(H,33,34).
What are the key properties of N-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 499.60 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).