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

C23H21N5O — CID 118660833

IUPAC[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CCCC5)nc34)cc2)cn1
InChIInChI=1S/C23H21N5O/c1-27-15-19(13-25-27)16-4-6-17(7-5-16)20-14-24-12-18-8-9-21(26-22(18)20)23(29)28-10-2-3-11-28/h4-9,12-15H,2-3,10-11H2,1H3
InChIKeyKPJPEYWXGRKBQF-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.93
Rot. Bonds3

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

[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 118660833) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID118660833
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CCCC5)nc34)cc2)cn1
InChIInChI=1S/C23H21N5O/c1-27-15-19(13-25-27)16-4-6-17(7-5-16)20-14-24-12-18-8-9-21(26-22(18)20)23(29)28-10-2-3-11-28/h4-9,12-15H,2-3,10-11H2,1H3
InChIKeyKPJPEYWXGRKBQF-UHFFFAOYSA-N
XLogP3.93
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone (CID 118660833) is [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone is Cn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CCCC5)nc34)cc2)cn1.
What is the InChIKey of [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KPJPEYWXGRKBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-27-15-19(13-25-27)16-4-6-17(7-5-16)20-14-24-12-18-8-9-21(26-22(18)20)23(29)28-10-2-3-11-28/h4-9,12-15H,2-3,10-11H2,1H3.
What are the key properties of [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone?
[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 383.46 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 118660833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).