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

C23H23N7O — CID 118660710

IUPAC[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone
SMILESCn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CCNCC5)nc34)cc2)cn1
InChIInChI=1S/C23H23N7O/c1-29-14-17(12-27-29)15-2-4-16(5-3-15)19-13-26-22(24)18-6-7-20(28-21(18)19)23(31)30-10-8-25-9-11-30/h2-7,12-14,25H,8-11H2,1H3,(H2,24,26)
InChIKeyZDHIDFYVFYJBJS-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.32
Rot. Bonds3

About [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone

[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone (PubChem CID 118660710) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone
PubChem CID118660710
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone
SMILESCn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CCNCC5)nc34)cc2)cn1
InChIInChI=1S/C23H23N7O/c1-29-14-17(12-27-29)15-2-4-16(5-3-15)19-13-26-22(24)18-6-7-20(28-21(18)19)23(31)30-10-8-25-9-11-30/h2-7,12-14,25H,8-11H2,1H3,(H2,24,26)
InChIKeyZDHIDFYVFYJBJS-UHFFFAOYSA-N
XLogP2.32
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone (CID 118660710) is [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone is Cn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CCNCC5)nc34)cc2)cn1.
What is the InChIKey of [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is ZDHIDFYVFYJBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-29-14-17(12-27-29)15-2-4-16(5-3-15)19-13-26-22(24)18-6-7-20(28-21(18)19)23(31)30-10-8-25-9-11-30/h2-7,12-14,25H,8-11H2,1H3,(H2,24,26).
What are the key properties of [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone?
[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 413.49 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 118660710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).