3-[[(4S)-4-(1,5-dimethylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one

C21H22N6O — CID 95210916

IUPAC3-[[(4S)-4-(1,5-dimethylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one
SMILESCc1c([C@H]2c3nc[nH]c3CCN2Cc2cc3ccccc3[nH]c2=O)cnn1C
InChIInChI=1S/C21H22N6O/c1-13-16(10-24-26(13)2)20-19-18(22-12-23-19)7-8-27(20)11-15-9-14-5-3-4-6-17(14)25-21(15)28/h3-6,9-10,12,20H,7-8,11H2,1-2H3,(H,22,23)(H,25,28)/t20-/m0/s1
InChIKeyOLHYJTLNACFQBL-FQEVSTJZSA-N
MW374.45 g/mol
LogP2.44
Rot. Bonds3

About 3-[[(4S)-4-(1,5-dimethylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one

3-[[(4S)-4-(1,5-dimethylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one (PubChem CID 95210916) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 3-[[(4S)-4-(1,5-dimethylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(4S)-4-(1,5-dimethylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one
PubChem CID95210916
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name3-[[(4S)-4-(1,5-dimethylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one
SMILESCc1c([C@H]2c3nc[nH]c3CCN2Cc2cc3ccccc3[nH]c2=O)cnn1C
InChIInChI=1S/C21H22N6O/c1-13-16(10-24-26(13)2)20-19-18(22-12-23-19)7-8-27(20)11-15-9-14-5-3-4-6-17(14)25-21(15)28/h3-6,9-10,12,20H,7-8,11H2,1-2H3,(H,22,23)(H,25,28)/t20-/m0/s1
InChIKeyOLHYJTLNACFQBL-FQEVSTJZSA-N
XLogP2.44
TPSA82.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4S)-4-(1,5-dimethylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[(4S)-4-(1,5-dimethylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one (CID 95210916) is 3-[[(4S)-4-(1,5-dimethylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(4S)-4-(1,5-dimethylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[(4S)-4-(1,5-dimethylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one is Cc1c([C@H]2c3nc[nH]c3CCN2Cc2cc3ccccc3[nH]c2=O)cnn1C.
What is the InChIKey of 3-[[(4S)-4-(1,5-dimethylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one?
The InChIKey is OLHYJTLNACFQBL-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22N6O/c1-13-16(10-24-26(13)2)20-19-18(22-12-23-19)7-8-27(20)11-15-9-14-5-3-4-6-17(14)25-21(15)28/h3-6,9-10,12,20H,7-8,11H2,1-2H3,(H,22,23)(H,25,28)/t20-/m0/s1.
What are the key properties of 3-[[(4S)-4-(1,5-dimethylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one?
3-[[(4S)-4-(1,5-dimethylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one has a molecular weight of 374.45 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4S)-4-(1,5-dimethylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 95210916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).