3-amino-1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(methoxymethyl)pyridin-2-one

C18H22FN5O2 — CID 146349622

IUPAC3-amino-1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(methoxymethyl)pyridin-2-one
SMILESCOCc1ccc(N)c(=O)n1Cc1nc2c(F)cnc(CC(C)C)c2[nH]1
InChIInChI=1S/C18H22FN5O2/c1-10(2)6-14-17-16(12(19)7-21-14)22-15(23-17)8-24-11(9-26-3)4-5-13(20)18(24)25/h4-5,7,10H,6,8-9,20H2,1-3H3,(H,22,23)
InChIKeyPTLNHWJTFHQWAG-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.23
Rot. Bonds6

About 3-amino-1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(methoxymethyl)pyridin-2-one

3-amino-1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(methoxymethyl)pyridin-2-one (PubChem CID 146349622) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 3-amino-1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(methoxymethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(methoxymethyl)pyridin-2-one
PubChem CID146349622
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name3-amino-1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(methoxymethyl)pyridin-2-one
SMILESCOCc1ccc(N)c(=O)n1Cc1nc2c(F)cnc(CC(C)C)c2[nH]1
InChIInChI=1S/C18H22FN5O2/c1-10(2)6-14-17-16(12(19)7-21-14)22-15(23-17)8-24-11(9-26-3)4-5-13(20)18(24)25/h4-5,7,10H,6,8-9,20H2,1-3H3,(H,22,23)
InChIKeyPTLNHWJTFHQWAG-UHFFFAOYSA-N
XLogP2.23
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(methoxymethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(methoxymethyl)pyridin-2-one (CID 146349622) is 3-amino-1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(methoxymethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(methoxymethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(methoxymethyl)pyridin-2-one is COCc1ccc(N)c(=O)n1Cc1nc2c(F)cnc(CC(C)C)c2[nH]1.
What is the InChIKey of 3-amino-1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(methoxymethyl)pyridin-2-one?
The InChIKey is PTLNHWJTFHQWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-10(2)6-14-17-16(12(19)7-21-14)22-15(23-17)8-24-11(9-26-3)4-5-13(20)18(24)25/h4-5,7,10H,6,8-9,20H2,1-3H3,(H,22,23).
What are the key properties of 3-amino-1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(methoxymethyl)pyridin-2-one?
3-amino-1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(methoxymethyl)pyridin-2-one has a molecular weight of 359.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(methoxymethyl)pyridin-2-one is sourced from PubChem (CID 146349622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).