7-(3-aminopiperidin-1-yl)-1-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one

C19H22FN5O — CID 70975727

IUPAC7-(3-aminopiperidin-1-yl)-1-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(Cc2ccccc2F)c2c(N3CCCC(N)C3)ccnc21
InChIInChI=1S/C19H22FN5O/c1-23-18-17(16(8-9-22-18)24-10-4-6-14(21)12-24)25(19(23)26)11-13-5-2-3-7-15(13)20/h2-3,5,7-9,14H,4,6,10-12,21H2,1H3
InChIKeyFIIPNBJWYDYRBN-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.85
Rot. Bonds3

About 7-(3-aminopiperidin-1-yl)-1-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one

7-(3-aminopiperidin-1-yl)-1-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 70975727) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 7-(3-aminopiperidin-1-yl)-1-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name7-(3-aminopiperidin-1-yl)-1-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one
PubChem CID70975727
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name7-(3-aminopiperidin-1-yl)-1-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(Cc2ccccc2F)c2c(N3CCCC(N)C3)ccnc21
InChIInChI=1S/C19H22FN5O/c1-23-18-17(16(8-9-22-18)24-10-4-6-14(21)12-24)25(19(23)26)11-13-5-2-3-7-15(13)20/h2-3,5,7-9,14H,4,6,10-12,21H2,1H3
InChIKeyFIIPNBJWYDYRBN-UHFFFAOYSA-N
XLogP1.85
TPSA69.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-1-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-one
CID 71000813
1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-one
CID 123817387
7-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-3-methyl-1-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-one
CID 135161427
2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile
CID 123666107
2-[[7-[(3R)-3-aminopiperidin-1-yl]-5-chloro-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 53312325
2-[[7-(3-aminopiperidin-1-yl)-3-methyl-2-oxo-5-(trifluoromethyl)imidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 77473662
2-[[7-(3-aminopiperidin-1-yl)-5-(dimethylamino)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 70975546
2-[[7-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 118712519
8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione
CID 22508582
2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-[(2-fluorophenyl)methyl]-6-methylimidazo[4,5-d]pyridazine-4,7-dione
CID 59747821
1-[(2-aminophenyl)methyl]-8-(3-aminopiperidin-1-yl)-7-[(2-bromophenyl)methyl]-3-methylpurine-2,6-dione
CID 89289254
tert-butyl N-[1-[1-[(4-chloro-2-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate
CID 70975416

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopiperidin-1-yl)-1-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 7-(3-aminopiperidin-1-yl)-1-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one (CID 70975727) is 7-(3-aminopiperidin-1-yl)-1-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 7-(3-aminopiperidin-1-yl)-1-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 7-(3-aminopiperidin-1-yl)-1-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(Cc2ccccc2F)c2c(N3CCCC(N)C3)ccnc21.
What is the InChIKey of 7-(3-aminopiperidin-1-yl)-1-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is FIIPNBJWYDYRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-23-18-17(16(8-9-22-18)24-10-4-6-14(21)12-24)25(19(23)26)11-13-5-2-3-7-15(13)20/h2-3,5,7-9,14H,4,6,10-12,21H2,1H3.
What are the key properties of 7-(3-aminopiperidin-1-yl)-1-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one?
7-(3-aminopiperidin-1-yl)-1-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 355.42 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopiperidin-1-yl)-1-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 70975727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).