1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(1H-pyrazol-5-yl)urea

C16H17N5O2 — CID 67283468

IUPAC1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(1H-pyrazol-5-yl)urea
SMILESO=C(Nc1ccn[nH]1)Nc1cccc2c1C1CCCCN1C2=O
InChIInChI=1S/C16H17N5O2/c22-15-10-4-3-5-11(14(10)12-6-1-2-9-21(12)15)18-16(23)19-13-7-8-17-20-13/h3-5,7-8,12H,1-2,6,9H2,(H3,17,18,19,20,23)
InChIKeyLDICMBYRLCNQPK-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.73
Rot. Bonds2

About 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(1H-pyrazol-5-yl)urea

1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(1H-pyrazol-5-yl)urea (PubChem CID 67283468) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(1H-pyrazol-5-yl)urea.

Molecular Properties

Compound Name1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(1H-pyrazol-5-yl)urea
PubChem CID67283468
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(1H-pyrazol-5-yl)urea
SMILESO=C(Nc1ccn[nH]1)Nc1cccc2c1C1CCCCN1C2=O
InChIInChI=1S/C16H17N5O2/c22-15-10-4-3-5-11(14(10)12-6-1-2-9-21(12)15)18-16(23)19-13-7-8-17-20-13/h3-5,7-8,12H,1-2,6,9H2,(H3,17,18,19,20,23)
InChIKeyLDICMBYRLCNQPK-UHFFFAOYSA-N
XLogP2.73
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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-(1H-pyrazol-5-yl)urea?
The IUPAC name of 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(1H-pyrazol-5-yl)urea (CID 67283468) is 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(1H-pyrazol-5-yl)urea.
What is the SMILES notation for 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(1H-pyrazol-5-yl)urea?
The canonical SMILES for 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(1H-pyrazol-5-yl)urea is O=C(Nc1ccn[nH]1)Nc1cccc2c1C1CCCCN1C2=O.
What is the InChIKey of 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(1H-pyrazol-5-yl)urea?
The InChIKey is LDICMBYRLCNQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c22-15-10-4-3-5-11(14(10)12-6-1-2-9-21(12)15)18-16(23)19-13-7-8-17-20-13/h3-5,7-8,12H,1-2,6,9H2,(H3,17,18,19,20,23).
What are the key properties of 1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(1H-pyrazol-5-yl)urea?
1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(1H-pyrazol-5-yl)urea has a molecular weight of 311.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 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-(1H-pyrazol-5-yl)urea is sourced from PubChem (CID 67283468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).