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

C23H22N6O2 — CID 118660788

IUPAC[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone
SMILESCn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CCOCC5)nc34)cc2)cn1
InChIInChI=1S/C23H22N6O2/c1-28-14-17(12-26-28)15-2-4-16(5-3-15)19-13-25-22(24)18-6-7-20(27-21(18)19)23(30)29-8-10-31-11-9-29/h2-7,12-14H,8-11H2,1H3,(H2,24,25)
InChIKeyYEOBHROCLHRPLB-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.75
Rot. Bonds3

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

[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 118660788) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID118660788
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone
SMILESCn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CCOCC5)nc34)cc2)cn1
InChIInChI=1S/C23H22N6O2/c1-28-14-17(12-26-28)15-2-4-16(5-3-15)19-13-25-22(24)18-6-7-20(27-21(18)19)23(30)29-8-10-31-11-9-29/h2-7,12-14H,8-11H2,1H3,(H2,24,25)
InChIKeyYEOBHROCLHRPLB-UHFFFAOYSA-N
XLogP2.75
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-morpholin-4-ylmethanone?
The IUPAC name of [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone (CID 118660788) is [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone is Cn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CCOCC5)nc34)cc2)cn1.
What is the InChIKey of [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is YEOBHROCLHRPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-28-14-17(12-26-28)15-2-4-16(5-3-15)19-13-25-22(24)18-6-7-20(27-21(18)19)23(30)29-8-10-31-11-9-29/h2-7,12-14H,8-11H2,1H3,(H2,24,25).
What are the key properties of [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone?
[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 414.47 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 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]-morpholin-4-ylmethanone is sourced from PubChem (CID 118660788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).