1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one

C22H21N5O — CID 22124690

IUPAC1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one
SMILESO=c1ccc2cnc(Nc3ccc(-n4cccn4)cc3)cc2n1C1CCCC1
InChIInChI=1S/C22H21N5O/c28-22-11-6-16-15-23-21(14-20(16)27(22)19-4-1-2-5-19)25-17-7-9-18(10-8-17)26-13-3-12-24-26/h3,6-15,19H,1-2,4-5H2,(H,23,25)
InChIKeyLKGKIYRBSJTQPT-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.44
Rot. Bonds4

About 1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one

1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one (PubChem CID 22124690) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one
PubChem CID22124690
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one
SMILESO=c1ccc2cnc(Nc3ccc(-n4cccn4)cc3)cc2n1C1CCCC1
InChIInChI=1S/C22H21N5O/c28-22-11-6-16-15-23-21(14-20(16)27(22)19-4-1-2-5-19)25-17-7-9-18(10-8-17)26-13-3-12-24-26/h3,6-15,19H,1-2,4-5H2,(H,23,25)
InChIKeyLKGKIYRBSJTQPT-UHFFFAOYSA-N
XLogP4.44
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one?
The IUPAC name of 1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one (CID 22124690) is 1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one?
The canonical SMILES for 1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one is O=c1ccc2cnc(Nc3ccc(-n4cccn4)cc3)cc2n1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one?
The InChIKey is LKGKIYRBSJTQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c28-22-11-6-16-15-23-21(14-20(16)27(22)19-4-1-2-5-19)25-17-7-9-18(10-8-17)26-13-3-12-24-26/h3,6-15,19H,1-2,4-5H2,(H,23,25).
What are the key properties of 1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one?
1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one has a molecular weight of 371.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one is sourced from PubChem (CID 22124690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).