1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(6-piperidin-1-yl-2-pyridinyl)urea

C23H27N5O2 — CID 71450225

IUPAC1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(6-piperidin-1-yl-2-pyridinyl)urea
SMILESO=C(Nc1cccc(N2CCCCC2)n1)Nc1cccc2c1C1CCCCN1C2=O
InChIInChI=1S/C23H27N5O2/c29-22-16-8-6-9-17(21(16)18-10-2-5-15-28(18)22)24-23(30)26-19-11-7-12-20(25-19)27-13-3-1-4-14-27/h6-9,11-12,18H,1-5,10,13-15H2,(H2,24,25,26,30)
InChIKeyWDKKKLHFWNLZLI-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.40
Rot. Bonds3

About 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(6-piperidin-1-yl-2-pyridinyl)urea

1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(6-piperidin-1-yl-2-pyridinyl)urea (PubChem CID 71450225) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(6-piperidin-1-yl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(6-piperidin-1-yl-2-pyridinyl)urea
PubChem CID71450225
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(6-piperidin-1-yl-2-pyridinyl)urea
SMILESO=C(Nc1cccc(N2CCCCC2)n1)Nc1cccc2c1C1CCCCN1C2=O
InChIInChI=1S/C23H27N5O2/c29-22-16-8-6-9-17(21(16)18-10-2-5-15-28(18)22)24-23(30)26-19-11-7-12-20(25-19)27-13-3-1-4-14-27/h6-9,11-12,18H,1-5,10,13-15H2,(H2,24,25,26,30)
InChIKeyWDKKKLHFWNLZLI-UHFFFAOYSA-N
XLogP4.40
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(6-piperidin-1-yl-2-pyridinyl)urea with MolForge

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Launch Full Analysis

Related Compounds

N'-(Pyrrolidino(2,1-B)Isoindolin-4-On-8-Yl)-N-(Pyridin-2-Yl)Urea
CID 445840
2-(4-methylpiperazin-1-yl)-5H-benzo(c)(1,5)naphthyridin-6-one
CID 9796149
4-(2-Cyclohexylaminopyridin-4-yl)-6-(piperazin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 46901212
N-[3-[6-(3-pyrrolidin-1-ylpropylamino)-3-pyridinyl]phenyl]benzamide
CID 44526802
2-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 10093232
2-{4-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]butyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 25093400
2-{3-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]propyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 25093402
9-oxo-N-pyridin-2-yl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 24979832
2-(5-Methylpyridin-2-YL)-3-[(pyridin-3-YL)amino]-2,3-dihydro-1H-isoindol-1-one
CID 5308756
3-oxo-N-(5-phenylpyrazin-2-yl)spiro[isoindoline-1,4''-piperidine]-1''-carboxamide
CID 9822252
2a-[4-{4-(2-Pyridyl)piperazinyl}butyl]-2a,3,4,5-tetrahydrobenz[cd]indole-2(1H)-one
CID 10834268
1-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-3-pyridin-2-ylurea
CID 11130623

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(6-piperidin-1-yl-2-pyridinyl)urea?
The IUPAC name of 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(6-piperidin-1-yl-2-pyridinyl)urea (CID 71450225) is 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(6-piperidin-1-yl-2-pyridinyl)urea.
What is the SMILES notation for 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(6-piperidin-1-yl-2-pyridinyl)urea?
The canonical SMILES for 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(6-piperidin-1-yl-2-pyridinyl)urea is O=C(Nc1cccc(N2CCCCC2)n1)Nc1cccc2c1C1CCCCN1C2=O.
What is the InChIKey of 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(6-piperidin-1-yl-2-pyridinyl)urea?
The InChIKey is WDKKKLHFWNLZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-22-16-8-6-9-17(21(16)18-10-2-5-15-28(18)22)24-23(30)26-19-11-7-12-20(25-19)27-13-3-1-4-14-27/h6-9,11-12,18H,1-5,10,13-15H2,(H2,24,25,26,30).
What are the key properties of 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(6-piperidin-1-yl-2-pyridinyl)urea?
1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(6-piperidin-1-yl-2-pyridinyl)urea has a molecular weight of 405.50 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(6-piperidin-1-yl-2-pyridinyl)urea is sourced from PubChem (CID 71450225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).