2-(4-chlorophenyl)-1-[3-[5-(4-methylpyrimidine-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]oxetan-3-yl]ethanone

C25H23ClN4O3 — CID 159728567

IUPAC2-(4-chlorophenyl)-1-[3-[5-(4-methylpyrimidine-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]oxetan-3-yl]ethanone
SMILESCc1ccnc(C(=O)N2CCCc3nc(C4(C(=O)Cc5ccc(Cl)cc5)COC4)ccc32)n1
InChIInChI=1S/C25H23ClN4O3/c1-16-10-11-27-23(28-16)24(32)30-12-2-3-19-20(30)8-9-21(29-19)25(14-33-15-25)22(31)13-17-4-6-18(26)7-5-17/h4-11H,2-3,12-15H2,1H3
InChIKeyNAYGNDCEHLBMRZ-UHFFFAOYSA-N
MW462.94 g/mol
LogP3.51
Rot. Bonds5

About 2-(4-chlorophenyl)-1-[3-[5-(4-methylpyrimidine-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]oxetan-3-yl]ethanone

2-(4-chlorophenyl)-1-[3-[5-(4-methylpyrimidine-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]oxetan-3-yl]ethanone (PubChem CID 159728567) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[3-[5-(4-methylpyrimidine-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]oxetan-3-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[3-[5-(4-methylpyrimidine-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]oxetan-3-yl]ethanone
PubChem CID159728567
Molecular FormulaC25H23ClN4O3
Molecular Weight462.94 g/mol
Exact Mass462.15
IUPAC Name2-(4-chlorophenyl)-1-[3-[5-(4-methylpyrimidine-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]oxetan-3-yl]ethanone
SMILESCc1ccnc(C(=O)N2CCCc3nc(C4(C(=O)Cc5ccc(Cl)cc5)COC4)ccc32)n1
InChIInChI=1S/C25H23ClN4O3/c1-16-10-11-27-23(28-16)24(32)30-12-2-3-19-20(30)8-9-21(29-19)25(14-33-15-25)22(31)13-17-4-6-18(26)7-5-17/h4-11H,2-3,12-15H2,1H3
InChIKeyNAYGNDCEHLBMRZ-UHFFFAOYSA-N
XLogP3.51
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[3-[5-(4-methylpyrimidine-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]oxetan-3-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[3-[5-(4-methylpyrimidine-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]oxetan-3-yl]ethanone (CID 159728567) is 2-(4-chlorophenyl)-1-[3-[5-(4-methylpyrimidine-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]oxetan-3-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[3-[5-(4-methylpyrimidine-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]oxetan-3-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[3-[5-(4-methylpyrimidine-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]oxetan-3-yl]ethanone is Cc1ccnc(C(=O)N2CCCc3nc(C4(C(=O)Cc5ccc(Cl)cc5)COC4)ccc32)n1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[3-[5-(4-methylpyrimidine-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]oxetan-3-yl]ethanone?
The InChIKey is NAYGNDCEHLBMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3/c1-16-10-11-27-23(28-16)24(32)30-12-2-3-19-20(30)8-9-21(29-19)25(14-33-15-25)22(31)13-17-4-6-18(26)7-5-17/h4-11H,2-3,12-15H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[3-[5-(4-methylpyrimidine-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]oxetan-3-yl]ethanone?
2-(4-chlorophenyl)-1-[3-[5-(4-methylpyrimidine-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]oxetan-3-yl]ethanone has a molecular weight of 462.94 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[3-[5-(4-methylpyrimidine-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]oxetan-3-yl]ethanone is sourced from PubChem (CID 159728567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).