4-amino-3-(3-methyl-4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one

C24H25N5O2 — CID 171749481

IUPAC4-amino-3-(3-methyl-4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one
SMILESCc1cc(-n2c(=O)n([C@@H]3CCCNC3)c3ccnc(N)c32)ccc1Oc1ccccc1
InChIInChI=1S/C24H25N5O2/c1-16-14-17(9-10-21(16)31-19-7-3-2-4-8-19)29-22-20(11-13-27-23(22)25)28(24(29)30)18-6-5-12-26-15-18/h2-4,7-11,13-14,18,26H,5-6,12,15H2,1H3,(H2,25,27)/t18-/m1/s1
InChIKeyQSDLOHKIIPAUMB-GOSISDBHSA-N
MW415.50 g/mol
LogP3.79
Rot. Bonds4

About 4-amino-3-(3-methyl-4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one

4-amino-3-(3-methyl-4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one (PubChem CID 171749481) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-amino-3-(3-methyl-4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-3-(3-methyl-4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one
PubChem CID171749481
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name4-amino-3-(3-methyl-4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one
SMILESCc1cc(-n2c(=O)n([C@@H]3CCCNC3)c3ccnc(N)c32)ccc1Oc1ccccc1
InChIInChI=1S/C24H25N5O2/c1-16-14-17(9-10-21(16)31-19-7-3-2-4-8-19)29-22-20(11-13-27-23(22)25)28(24(29)30)18-6-5-12-26-15-18/h2-4,7-11,13-14,18,26H,5-6,12,15H2,1H3,(H2,25,27)/t18-/m1/s1
InChIKeyQSDLOHKIIPAUMB-GOSISDBHSA-N
XLogP3.79
TPSA87.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-methyl-4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-3-(3-methyl-4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one (CID 171749481) is 4-amino-3-(3-methyl-4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-3-(3-methyl-4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-3-(3-methyl-4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one is Cc1cc(-n2c(=O)n([C@@H]3CCCNC3)c3ccnc(N)c32)ccc1Oc1ccccc1.
What is the InChIKey of 4-amino-3-(3-methyl-4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is QSDLOHKIIPAUMB-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16-14-17(9-10-21(16)31-19-7-3-2-4-8-19)29-22-20(11-13-27-23(22)25)28(24(29)30)18-6-5-12-26-15-18/h2-4,7-11,13-14,18,26H,5-6,12,15H2,1H3,(H2,25,27)/t18-/m1/s1.
What are the key properties of 4-amino-3-(3-methyl-4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one?
4-amino-3-(3-methyl-4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 415.50 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-methyl-4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 171749481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).