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

C26H27N7O — CID 89450963

IUPAC5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12
InChIInChI=1S/C26H27N7O/c34-26(29-21-5-7-24(28-16-21)33-10-1-2-11-33)25-22-13-19(4-6-23(22)30-31-25)20-12-18(14-27-15-20)17-32-8-3-9-32/h4-7,12-16H,1-3,8-11,17H2,(H,29,34)(H,30,31)
InChIKeyBZYXCQMNUAOYSF-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.08
Rot. Bonds6

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

5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 89450963) has the molecular formula C26H27N7O and a molecular weight of 453.55 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID89450963
Molecular FormulaC26H27N7O
Molecular Weight453.55 g/mol
Exact Mass453.23
IUPAC Name5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12
InChIInChI=1S/C26H27N7O/c34-26(29-21-5-7-24(28-16-21)33-10-1-2-11-33)25-22-13-19(4-6-23(22)30-31-25)20-12-18(14-27-15-20)17-32-8-3-9-32/h4-7,12-16H,1-3,8-11,17H2,(H,29,34)(H,30,31)
InChIKeyBZYXCQMNUAOYSF-UHFFFAOYSA-N
XLogP4.08
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 89450963) is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12.
What is the InChIKey of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is BZYXCQMNUAOYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O/c34-26(29-21-5-7-24(28-16-21)33-10-1-2-11-33)25-22-13-19(4-6-23(22)30-31-25)20-12-18(14-27-15-20)17-32-8-3-9-32/h4-7,12-16H,1-3,8-11,17H2,(H,29,34)(H,30,31).
What are the key properties of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).