1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)benzo[cd]indol-2-one

C19H17N3O — CID 166240414

IUPAC1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1Cc1cc2n(n1)CCCC2
InChIInChI=1S/C19H17N3O/c23-19-16-8-3-5-13-6-4-9-17(18(13)16)21(19)12-14-11-15-7-1-2-10-22(15)20-14/h3-6,8-9,11H,1-2,7,10,12H2
InChIKeyIKKDXCPZGZBCRQ-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.53
Rot. Bonds2

About 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)benzo[cd]indol-2-one

1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)benzo[cd]indol-2-one (PubChem CID 166240414) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)benzo[cd]indol-2-one
PubChem CID166240414
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1Cc1cc2n(n1)CCCC2
InChIInChI=1S/C19H17N3O/c23-19-16-8-3-5-13-6-4-9-17(18(13)16)21(19)12-14-11-15-7-1-2-10-22(15)20-14/h3-6,8-9,11H,1-2,7,10,12H2
InChIKeyIKKDXCPZGZBCRQ-UHFFFAOYSA-N
XLogP3.53
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)benzo[cd]indol-2-one?
The IUPAC name of 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)benzo[cd]indol-2-one (CID 166240414) is 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)benzo[cd]indol-2-one.
What is the SMILES notation for 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)benzo[cd]indol-2-one?
The canonical SMILES for 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)benzo[cd]indol-2-one is O=C1c2cccc3cccc(c23)N1Cc1cc2n(n1)CCCC2.
What is the InChIKey of 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)benzo[cd]indol-2-one?
The InChIKey is IKKDXCPZGZBCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c23-19-16-8-3-5-13-6-4-9-17(18(13)16)21(19)12-14-11-15-7-1-2-10-22(15)20-14/h3-6,8-9,11H,1-2,7,10,12H2.
What are the key properties of 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)benzo[cd]indol-2-one?
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)benzo[cd]indol-2-one has a molecular weight of 303.37 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)benzo[cd]indol-2-one is sourced from PubChem (CID 166240414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).