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

C28H29N5O2 — CID 135980545

IUPAC3-[5-[4-(piperidin-1-ylmethyl)benzoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
SMILESO=C(c1ccc(CN2CCCCC2)cc1)N1CCc2nc(-c3cc4ccccc4[nH]c3=O)[nH]c2C1
InChIInChI=1S/C28H29N5O2/c34-27-22(16-21-6-2-3-7-23(21)31-27)26-29-24-12-15-33(18-25(24)30-26)28(35)20-10-8-19(9-11-20)17-32-13-4-1-5-14-32/h2-3,6-11,16H,1,4-5,12-15,17-18H2,(H,29,30)(H,31,34)
InChIKeyHYKATHJWLKEHDK-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.10
Rot. Bonds4

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

3-[5-[4-(piperidin-1-ylmethyl)benzoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one (PubChem CID 135980545) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 3-[5-[4-(piperidin-1-ylmethyl)benzoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-[4-(piperidin-1-ylmethyl)benzoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
PubChem CID135980545
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name3-[5-[4-(piperidin-1-ylmethyl)benzoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
SMILESO=C(c1ccc(CN2CCCCC2)cc1)N1CCc2nc(-c3cc4ccccc4[nH]c3=O)[nH]c2C1
InChIInChI=1S/C28H29N5O2/c34-27-22(16-21-6-2-3-7-23(21)31-27)26-29-24-12-15-33(18-25(24)30-26)28(35)20-10-8-19(9-11-20)17-32-13-4-1-5-14-32/h2-3,6-11,16H,1,4-5,12-15,17-18H2,(H,29,30)(H,31,34)
InChIKeyHYKATHJWLKEHDK-UHFFFAOYSA-N
XLogP4.10
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-pyrrolidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
CID 135980571
ethyl 2-[5-[4-(piperidin-1-ylmethyl)benzoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]acetate
CID 142706187
3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-one
CID 137184532
3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 10131514
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
[4-[(5-methyltetrazol-1-yl)methyl]phenyl]-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 77091366
N-[1-(1H-indol-2-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 72895408
3-[5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668224
3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110362990
pyridin-4-yl-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 77085984
3-[6-[2-(4-acetylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 135698385
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24550579

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(piperidin-1-ylmethyl)benzoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[5-[4-(piperidin-1-ylmethyl)benzoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one (CID 135980545) is 3-[5-[4-(piperidin-1-ylmethyl)benzoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-[4-(piperidin-1-ylmethyl)benzoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[5-[4-(piperidin-1-ylmethyl)benzoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one is O=C(c1ccc(CN2CCCCC2)cc1)N1CCc2nc(-c3cc4ccccc4[nH]c3=O)[nH]c2C1.
What is the InChIKey of 3-[5-[4-(piperidin-1-ylmethyl)benzoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
The InChIKey is HYKATHJWLKEHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c34-27-22(16-21-6-2-3-7-23(21)31-27)26-29-24-12-15-33(18-25(24)30-26)28(35)20-10-8-19(9-11-20)17-32-13-4-1-5-14-32/h2-3,6-11,16H,1,4-5,12-15,17-18H2,(H,29,30)(H,31,34).
What are the key properties of 3-[5-[4-(piperidin-1-ylmethyl)benzoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
3-[5-[4-(piperidin-1-ylmethyl)benzoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one has a molecular weight of 467.57 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(piperidin-1-ylmethyl)benzoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 135980545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).