(4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone

C33H33N5O — CID 164613435

IUPAC(4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4ccc5ncccc5c4)n3c2)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C33H33N5O/c39-33(37-19-14-29(15-20-37)36-17-2-1-3-18-36)25-8-6-24(7-9-25)28-11-13-32-35-22-31(38(32)23-28)27-10-12-30-26(21-27)5-4-16-34-30/h4-13,16,21-23,29H,1-3,14-15,17-20H2
InChIKeyYGQBAOLJYOQEOU-UHFFFAOYSA-N
MW515.66 g/mol
LogP6.31
Rot. Bonds4

About (4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone

(4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone (PubChem CID 164613435) has the molecular formula C33H33N5O and a molecular weight of 515.66 g/mol. Its IUPAC name is (4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone
PubChem CID164613435
Molecular FormulaC33H33N5O
Molecular Weight515.66 g/mol
Exact Mass515.27
IUPAC Name(4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4ccc5ncccc5c4)n3c2)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C33H33N5O/c39-33(37-19-14-29(15-20-37)36-17-2-1-3-18-36)25-8-6-24(7-9-25)28-11-13-32-35-22-31(38(32)23-28)27-10-12-30-26(21-27)5-4-16-34-30/h4-13,16,21-23,29H,1-3,14-15,17-20H2
InChIKeyYGQBAOLJYOQEOU-UHFFFAOYSA-N
XLogP6.31
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.66
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(2-(1-((4-fluorophenyl)methyl)-1H-indol-2-yl)-3-methylimidazo(1,2-a)pyridine-7-carbonyl)piperidin-3-amine
CID 138578805
2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 137700779
{4-[9-Phenyl-2-(quinolin-3-ylamino)-9H-purin-6-ylamino]-phenyl}-piperidin-1-yl-methanone
CID 24762176
N-(4-{5-[3-(Acetylamino)phenyl]-2-(2-Aminopyridin-3-Yl)-3h-Imidazo[4,5-B]pyridin-3-Yl}benzyl)-3-Fluorobenzamide
CID 56965952
(S)-1-(7-aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethylphenyl)-3-[1-methyl-2-(3-pyrido[2,3-b]pyrazin-7-yl-propylamino)-ethyl]-1H-indol-5-yl}-2-methylpropan-1-one
CID 44380222
[2,3-Dihydro-8-(4-methyl-1-piperazinyl)-1H-pyrrolo[3,2-g]isoquinolin-1-yl]-5-quinolinylmethanone
CID 44404241
MpsBAY2a
CID 57381882
2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(piperidin-2-ylmethyl)benzamide
CID 71667102
2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-piperidin-3-ylbenzamide
CID 71667249
4-[3-[(7R,9aS)-2-benzoyl-4-oxo-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 77107458
2-(4-Methylphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]quinoline
CID 2093195
Quinoline derivative 7
CID 89554814

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone?
The IUPAC name of (4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone (CID 164613435) is (4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone.
What is the SMILES notation for (4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone?
The canonical SMILES for (4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone is O=C(c1ccc(-c2ccc3ncc(-c4ccc5ncccc5c4)n3c2)cc1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone?
The InChIKey is YGQBAOLJYOQEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N5O/c39-33(37-19-14-29(15-20-37)36-17-2-1-3-18-36)25-8-6-24(7-9-25)28-11-13-32-35-22-31(38(32)23-28)27-10-12-30-26(21-27)5-4-16-34-30/h4-13,16,21-23,29H,1-3,14-15,17-20H2.
What are the key properties of (4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone?
(4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone has a molecular weight of 515.66 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone is sourced from PubChem (CID 164613435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).