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

C24H24N6O — CID 89450758

IUPAC5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESO=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C24H24N6O/c31-24(27-20-5-4-8-25-15-20)23-21-12-18(6-7-22(21)28-29-23)19-11-17(13-26-14-19)16-30-9-2-1-3-10-30/h4-8,11-15H,1-3,9-10,16H2,(H,27,31)(H,28,29)
InChIKeyVCNIUYPAMGFBLR-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.26
Rot. Bonds5

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

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 89450758) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID89450758
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESO=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C24H24N6O/c31-24(27-20-5-4-8-25-15-20)23-21-12-18(6-7-22(21)28-29-23)19-11-17(13-26-14-19)16-30-9-2-1-3-10-30/h4-8,11-15H,1-3,9-10,16H2,(H,27,31)(H,28,29)
InChIKeyVCNIUYPAMGFBLR-UHFFFAOYSA-N
XLogP4.26
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide (CID 89450758) is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide is O=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.
What is the InChIKey of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is VCNIUYPAMGFBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c31-24(27-20-5-4-8-25-15-20)23-21-12-18(6-7-22(21)28-29-23)19-11-17(13-26-14-19)16-30-9-2-1-3-10-30/h4-8,11-15H,1-3,9-10,16H2,(H,27,31)(H,28,29).
What are the key properties of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 412.50 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).