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

C23H22N6O — CID 118660879

IUPAC[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone
SMILESCn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CCNCC5)nc34)cc2)cn1
InChIInChI=1S/C23H22N6O/c1-28-15-19(13-26-28)16-2-4-17(5-3-16)20-14-25-12-18-6-7-21(27-22(18)20)23(30)29-10-8-24-9-11-29/h2-7,12-15,24H,8-11H2,1H3
InChIKeyNFDTYIAEGUXEIR-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.74
Rot. Bonds3

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

[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone (PubChem CID 118660879) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone
PubChem CID118660879
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone
SMILESCn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CCNCC5)nc34)cc2)cn1
InChIInChI=1S/C23H22N6O/c1-28-15-19(13-26-28)16-2-4-17(5-3-16)20-14-25-12-18-6-7-21(27-22(18)20)23(30)29-10-8-24-9-11-29/h2-7,12-15,24H,8-11H2,1H3
InChIKeyNFDTYIAEGUXEIR-UHFFFAOYSA-N
XLogP2.74
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-piperazin-1-ylmethanone?
The IUPAC name of [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone (CID 118660879) is [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone is Cn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CCNCC5)nc34)cc2)cn1.
What is the InChIKey of [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is NFDTYIAEGUXEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-28-15-19(13-26-28)16-2-4-17(5-3-16)20-14-25-12-18-6-7-21(27-22(18)20)23(30)29-10-8-24-9-11-29/h2-7,12-15,24H,8-11H2,1H3.
What are the key properties of [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone?
[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 398.47 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 118660879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).