6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindazole-4-carboxamide

C22H25N5O2 — CID 132517141

IUPAC6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindazole-4-carboxamide
SMILESCCC(CC)n1ncc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(C#N)cc21
InChIInChI=1S/C22H25N5O2/c1-5-16(6-2)27-20-9-15(10-23)8-17(19(20)12-25-27)21(28)24-11-18-13(3)7-14(4)26-22(18)29/h7-9,12,16H,5-6,11H2,1-4H3,(H,24,28)(H,26,29)
InChIKeyQTOSIAXSQPPVAG-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.50
Rot. Bonds6

About 6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindazole-4-carboxamide

6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindazole-4-carboxamide (PubChem CID 132517141) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindazole-4-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindazole-4-carboxamide
PubChem CID132517141
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindazole-4-carboxamide
SMILESCCC(CC)n1ncc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(C#N)cc21
InChIInChI=1S/C22H25N5O2/c1-5-16(6-2)27-20-9-15(10-23)8-17(19(20)12-25-27)21(28)24-11-18-13(3)7-14(4)26-22(18)29/h7-9,12,16H,5-6,11H2,1-4H3,(H,24,28)(H,26,29)
InChIKeyQTOSIAXSQPPVAG-UHFFFAOYSA-N
XLogP3.50
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindazole-4-carboxamide?
The IUPAC name of 6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindazole-4-carboxamide (CID 132517141) is 6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindazole-4-carboxamide.
What is the SMILES notation for 6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindazole-4-carboxamide?
The canonical SMILES for 6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindazole-4-carboxamide is CCC(CC)n1ncc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(C#N)cc21.
What is the InChIKey of 6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindazole-4-carboxamide?
The InChIKey is QTOSIAXSQPPVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-5-16(6-2)27-20-9-15(10-23)8-17(19(20)12-25-27)21(28)24-11-18-13(3)7-14(4)26-22(18)29/h7-9,12,16H,5-6,11H2,1-4H3,(H,24,28)(H,26,29).
What are the key properties of 6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindazole-4-carboxamide?
6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindazole-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindazole-4-carboxamide is sourced from PubChem (CID 132517141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).