(3S)-4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(2-methylphenyl)piperazin-2-one

C19H21N5O — CID 99578521

IUPAC(3S)-4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1[C@H]1C(=O)NCCN1Cc1nc2nccc(C)c2[nH]1
InChIInChI=1S/C19H21N5O/c1-12-5-3-4-6-14(12)17-19(25)21-9-10-24(17)11-15-22-16-13(2)7-8-20-18(16)23-15/h3-8,17H,9-11H2,1-2H3,(H,21,25)(H,20,22,23)/t17-/m0/s1
InChIKeyBCELQUSYNHEZRI-KRWDZBQOSA-N
MW335.41 g/mol
LogP2.25
Rot. Bonds3

About (3S)-4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(2-methylphenyl)piperazin-2-one

(3S)-4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(2-methylphenyl)piperazin-2-one (PubChem CID 99578521) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (3S)-4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(2-methylphenyl)piperazin-2-one
PubChem CID99578521
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(3S)-4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1[C@H]1C(=O)NCCN1Cc1nc2nccc(C)c2[nH]1
InChIInChI=1S/C19H21N5O/c1-12-5-3-4-6-14(12)17-19(25)21-9-10-24(17)11-15-22-16-13(2)7-8-20-18(16)23-15/h3-8,17H,9-11H2,1-2H3,(H,21,25)(H,20,22,23)/t17-/m0/s1
InChIKeyBCELQUSYNHEZRI-KRWDZBQOSA-N
XLogP2.25
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(2-methylphenyl)piperazin-2-one?
The IUPAC name of (3S)-4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(2-methylphenyl)piperazin-2-one (CID 99578521) is (3S)-4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for (3S)-4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for (3S)-4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(2-methylphenyl)piperazin-2-one is Cc1ccccc1[C@H]1C(=O)NCCN1Cc1nc2nccc(C)c2[nH]1.
What is the InChIKey of (3S)-4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(2-methylphenyl)piperazin-2-one?
The InChIKey is BCELQUSYNHEZRI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-5-3-4-6-14(12)17-19(25)21-9-10-24(17)11-15-22-16-13(2)7-8-20-18(16)23-15/h3-8,17H,9-11H2,1-2H3,(H,21,25)(H,20,22,23)/t17-/m0/s1.
What are the key properties of (3S)-4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(2-methylphenyl)piperazin-2-one?
(3S)-4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(2-methylphenyl)piperazin-2-one has a molecular weight of 335.41 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 99578521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).