6-indazol-1-yl-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide

C23H22N6O — CID 143750698

IUPAC6-indazol-1-yl-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1N1CCCCC1)c1cccc(-n2ncc3ccccc32)n1
InChIInChI=1S/C23H22N6O/c30-23(27-19-16-24-12-11-21(19)28-13-4-1-5-14-28)18-8-6-10-22(26-18)29-20-9-3-2-7-17(20)15-25-29/h2-3,6-12,15-16H,1,4-5,13-14H2,(H,27,30)
InChIKeyJVEMELHPWFZTAS-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.06
Rot. Bonds4

About 6-indazol-1-yl-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide

6-indazol-1-yl-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 143750698) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 6-indazol-1-yl-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-indazol-1-yl-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID143750698
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name6-indazol-1-yl-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1N1CCCCC1)c1cccc(-n2ncc3ccccc32)n1
InChIInChI=1S/C23H22N6O/c30-23(27-19-16-24-12-11-21(19)28-13-4-1-5-14-28)18-8-6-10-22(26-18)29-20-9-3-2-7-17(20)15-25-29/h2-3,6-12,15-16H,1,4-5,13-14H2,(H,27,30)
InChIKeyJVEMELHPWFZTAS-UHFFFAOYSA-N
XLogP4.06
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-indazol-1-yl-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 6-indazol-1-yl-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide (CID 143750698) is 6-indazol-1-yl-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-indazol-1-yl-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 6-indazol-1-yl-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide is O=C(Nc1cnccc1N1CCCCC1)c1cccc(-n2ncc3ccccc32)n1.
What is the InChIKey of 6-indazol-1-yl-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is JVEMELHPWFZTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c30-23(27-19-16-24-12-11-21(19)28-13-4-1-5-14-28)18-8-6-10-22(26-18)29-20-9-3-2-7-17(20)15-25-29/h2-3,6-12,15-16H,1,4-5,13-14H2,(H,27,30).
What are the key properties of 6-indazol-1-yl-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
6-indazol-1-yl-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-indazol-1-yl-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 143750698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).