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

C23H21N5O2 — CID 118660850

IUPAC[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone
SMILESCn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CCOCC5)nc34)cc2)cn1
InChIInChI=1S/C23H21N5O2/c1-27-15-19(13-25-27)16-2-4-17(5-3-16)20-14-24-12-18-6-7-21(26-22(18)20)23(29)28-8-10-30-11-9-28/h2-7,12-15H,8-11H2,1H3
InChIKeyDJTZJKJIHWUBGI-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.17
Rot. Bonds3

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

[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 118660850) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID118660850
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone
SMILESCn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CCOCC5)nc34)cc2)cn1
InChIInChI=1S/C23H21N5O2/c1-27-15-19(13-25-27)16-2-4-17(5-3-16)20-14-24-12-18-6-7-21(26-22(18)20)23(29)28-8-10-30-11-9-28/h2-7,12-15H,8-11H2,1H3
InChIKeyDJTZJKJIHWUBGI-UHFFFAOYSA-N
XLogP3.17
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
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]-morpholin-4-ylmethanone?
The IUPAC name of [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone (CID 118660850) is [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone is Cn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CCOCC5)nc34)cc2)cn1.
What is the InChIKey of [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is DJTZJKJIHWUBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-27-15-19(13-25-27)16-2-4-17(5-3-16)20-14-24-12-18-6-7-21(26-22(18)20)23(29)28-8-10-30-11-9-28/h2-7,12-15H,8-11H2,1H3.
What are the key properties of [8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone?
[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 399.45 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 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]-morpholin-4-ylmethanone is sourced from PubChem (CID 118660850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).