4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-pyrazol-1-yl-3H-imidazo[4,5-c]pyridin-2-one

C16H15N7O — CID 54584981

IUPAC4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-pyrazol-1-yl-3H-imidazo[4,5-c]pyridin-2-one
SMILESCc1ccc(Cn2c(=O)[nH]c3c(N)nc(-n4cccn4)cc32)cn1
InChIInChI=1S/C16H15N7O/c1-10-3-4-11(8-18-10)9-22-12-7-13(23-6-2-5-19-23)20-15(17)14(12)21-16(22)24/h2-8H,9H2,1H3,(H2,17,20)(H,21,24)
InChIKeyIWIIEGCJOFYIEZ-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.24
Rot. Bonds3

About 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-pyrazol-1-yl-3H-imidazo[4,5-c]pyridin-2-one

4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-pyrazol-1-yl-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 54584981) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-pyrazol-1-yl-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-pyrazol-1-yl-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID54584981
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-pyrazol-1-yl-3H-imidazo[4,5-c]pyridin-2-one
SMILESCc1ccc(Cn2c(=O)[nH]c3c(N)nc(-n4cccn4)cc32)cn1
InChIInChI=1S/C16H15N7O/c1-10-3-4-11(8-18-10)9-22-12-7-13(23-6-2-5-19-23)20-15(17)14(12)21-16(22)24/h2-8H,9H2,1H3,(H2,17,20)(H,21,24)
InChIKeyIWIIEGCJOFYIEZ-UHFFFAOYSA-N
XLogP1.24
TPSA107.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-pyrazol-1-yl-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-pyrazol-1-yl-3H-imidazo[4,5-c]pyridin-2-one (CID 54584981) is 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-pyrazol-1-yl-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-pyrazol-1-yl-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-pyrazol-1-yl-3H-imidazo[4,5-c]pyridin-2-one is Cc1ccc(Cn2c(=O)[nH]c3c(N)nc(-n4cccn4)cc32)cn1.
What is the InChIKey of 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-pyrazol-1-yl-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is IWIIEGCJOFYIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c1-10-3-4-11(8-18-10)9-22-12-7-13(23-6-2-5-19-23)20-15(17)14(12)21-16(22)24/h2-8H,9H2,1H3,(H2,17,20)(H,21,24).
What are the key properties of 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-pyrazol-1-yl-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-pyrazol-1-yl-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 321.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-pyrazol-1-yl-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 54584981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).