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

C23H22N6O — CID 118660910

IUPAC[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CCCC5)nc34)cc2)cn1
InChIInChI=1S/C23H22N6O/c1-28-14-17(12-26-28)15-4-6-16(7-5-15)19-13-25-22(24)18-8-9-20(27-21(18)19)23(30)29-10-2-3-11-29/h4-9,12-14H,2-3,10-11H2,1H3,(H2,24,25)
InChIKeyFBBJFNNZHXLBCQ-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.52
Rot. Bonds3

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

[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 118660910) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID118660910
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CCCC5)nc34)cc2)cn1
InChIInChI=1S/C23H22N6O/c1-28-14-17(12-26-28)15-4-6-16(7-5-15)19-13-25-22(24)18-8-9-20(27-21(18)19)23(30)29-10-2-3-11-29/h4-9,12-14H,2-3,10-11H2,1H3,(H2,24,25)
InChIKeyFBBJFNNZHXLBCQ-UHFFFAOYSA-N
XLogP3.52
TPSA89.93 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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone (CID 118660910) is [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone is Cn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CCCC5)nc34)cc2)cn1.
What is the InChIKey of [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FBBJFNNZHXLBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-28-14-17(12-26-28)15-4-6-16(7-5-15)19-13-25-22(24)18-8-9-20(27-21(18)19)23(30)29-10-2-3-11-29/h4-9,12-14H,2-3,10-11H2,1H3,(H2,24,25).
What are the key properties of [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone?
[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 398.47 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 118660910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).