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

C21H23N5O2 — CID 135980571

IUPAC3-[5-(2-pyrrolidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
SMILESO=C(CN1CCCC1)N1CCc2nc(-c3cc4ccccc4[nH]c3=O)[nH]c2C1
InChIInChI=1S/C21H23N5O2/c27-19(13-25-8-3-4-9-25)26-10-7-17-18(12-26)23-20(22-17)15-11-14-5-1-2-6-16(14)24-21(15)28/h1-2,5-6,11H,3-4,7-10,12-13H2,(H,22,23)(H,24,28)
InChIKeyYDZKLKYYBVGTLU-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.90
Rot. Bonds3

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

3-[5-(2-pyrrolidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one (PubChem CID 135980571) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-[5-(2-pyrrolidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-(2-pyrrolidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
PubChem CID135980571
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-[5-(2-pyrrolidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
SMILESO=C(CN1CCCC1)N1CCc2nc(-c3cc4ccccc4[nH]c3=O)[nH]c2C1
InChIInChI=1S/C21H23N5O2/c27-19(13-25-8-3-4-9-25)26-10-7-17-18(12-26)23-20(22-17)15-11-14-5-1-2-6-16(14)24-21(15)28/h1-2,5-6,11H,3-4,7-10,12-13H2,(H,22,23)(H,24,28)
InChIKeyYDZKLKYYBVGTLU-UHFFFAOYSA-N
XLogP1.90
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[4-(piperidin-1-ylmethyl)benzoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
CID 135980545
6-methoxy-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
CID 135980565
3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-one
CID 137184532
2-piperidin-1-yl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
CID 166309093
2-(benzotriazol-2-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131920552
3-[2-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 72854991
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 86879179
2-[cyclopentyl(methyl)amino]-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 72855340
1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-pyrimidin-2-ylsulfanylethanone
CID 72840213
ethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 142059903
3-[6-[2-(4-acetylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 135698385
1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 164905145

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-pyrrolidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[5-(2-pyrrolidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one (CID 135980571) is 3-[5-(2-pyrrolidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-(2-pyrrolidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[5-(2-pyrrolidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one is O=C(CN1CCCC1)N1CCc2nc(-c3cc4ccccc4[nH]c3=O)[nH]c2C1.
What is the InChIKey of 3-[5-(2-pyrrolidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
The InChIKey is YDZKLKYYBVGTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-19(13-25-8-3-4-9-25)26-10-7-17-18(12-26)23-20(22-17)15-11-14-5-1-2-6-16(14)24-21(15)28/h1-2,5-6,11H,3-4,7-10,12-13H2,(H,22,23)(H,24,28).
What are the key properties of 3-[5-(2-pyrrolidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
3-[5-(2-pyrrolidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one has a molecular weight of 377.45 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-pyrrolidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 135980571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).