1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]pyrrolidin-2-one

C22H19N5O — CID 118660560

IUPAC1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]pyrrolidin-2-one
SMILESCn1cc(-c2ccc(-c3cncc4ccc(N5CCCC5=O)nc34)cc2)cn1
InChIInChI=1S/C22H19N5O/c1-26-14-18(12-24-26)15-4-6-16(7-5-15)19-13-23-11-17-8-9-20(25-22(17)19)27-10-2-3-21(27)28/h4-9,11-14H,2-3,10H2,1H3
InChIKeyOBXJXHURJISADY-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.82
Rot. Bonds3

About 1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]pyrrolidin-2-one

1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]pyrrolidin-2-one (PubChem CID 118660560) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]pyrrolidin-2-one
PubChem CID118660560
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]pyrrolidin-2-one
SMILESCn1cc(-c2ccc(-c3cncc4ccc(N5CCCC5=O)nc34)cc2)cn1
InChIInChI=1S/C22H19N5O/c1-26-14-18(12-24-26)15-4-6-16(7-5-15)19-13-23-11-17-8-9-20(25-22(17)19)27-10-2-3-21(27)28/h4-9,11-14H,2-3,10H2,1H3
InChIKeyOBXJXHURJISADY-UHFFFAOYSA-N
XLogP3.82
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]pyrrolidin-2-one (CID 118660560) is 1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]pyrrolidin-2-one is Cn1cc(-c2ccc(-c3cncc4ccc(N5CCCC5=O)nc34)cc2)cn1.
What is the InChIKey of 1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]pyrrolidin-2-one?
The InChIKey is OBXJXHURJISADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-26-14-18(12-24-26)15-4-6-16(7-5-15)19-13-23-11-17-8-9-20(25-22(17)19)27-10-2-3-21(27)28/h4-9,11-14H,2-3,10H2,1H3.
What are the key properties of 1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]pyrrolidin-2-one?
1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]pyrrolidin-2-one has a molecular weight of 369.43 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 118660560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).