N-(6-oxo-1H-pyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

C23H22N6O2 — CID 89450891

IUPACN-(6-oxo-1H-pyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]c1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12
InChIInChI=1S/C23H22N6O2/c30-21-7-5-17(13-25-21)26-23(31)22-19-11-15(4-6-20(19)27-28-22)16-10-18(14-24-12-16)29-8-2-1-3-9-29/h4-7,10-14H,1-3,8-9H2,(H,25,30)(H,26,31)(H,27,28)
InChIKeyOJXHTWQJAOMIRD-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.56
Rot. Bonds4

About N-(6-oxo-1H-pyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

N-(6-oxo-1H-pyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 89450891) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID89450891
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC NameN-(6-oxo-1H-pyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]c1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12
InChIInChI=1S/C23H22N6O2/c30-21-7-5-17(13-25-21)26-23(31)22-19-11-15(4-6-20(19)27-28-22)16-10-18(14-24-12-16)29-8-2-1-3-9-29/h4-7,10-14H,1-3,8-9H2,(H,25,30)(H,26,31)(H,27,28)
InChIKeyOJXHTWQJAOMIRD-UHFFFAOYSA-N
XLogP3.56
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(6-oxo-1H-pyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 89450891) is N-(6-oxo-1H-pyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(6-oxo-1H-pyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(6-oxo-1H-pyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(=O)[nH]c1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12.
What is the InChIKey of N-(6-oxo-1H-pyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is OJXHTWQJAOMIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c30-21-7-5-17(13-25-21)26-23(31)22-19-11-15(4-6-20(19)27-28-22)16-10-18(14-24-12-16)29-8-2-1-3-9-29/h4-7,10-14H,1-3,8-9H2,(H,25,30)(H,26,31)(H,27,28).
What are the key properties of N-(6-oxo-1H-pyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
N-(6-oxo-1H-pyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1H-pyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).