3-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one

C27H30ClN5O4 — CID 146474750

IUPAC3-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2cc(OC)cc(OC)c2Cl)cc2cnc(-c3cnn(CCN4CCOCC4)c3)cc21
InChIInChI=1S/C27H30ClN5O4/c1-4-33-24-14-23(19-16-30-32(17-19)6-5-31-7-9-37-10-8-31)29-15-18(24)11-22(27(33)34)21-12-20(35-2)13-25(36-3)26(21)28/h11-17H,4-10H2,1-3H3
InChIKeyYZMLLLUPAXSFFT-UHFFFAOYSA-N
MW524.02 g/mol
LogP3.95
Rot. Bonds8

About 3-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one

3-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one (PubChem CID 146474750) has the molecular formula C27H30ClN5O4 and a molecular weight of 524.02 g/mol. Its IUPAC name is 3-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one
PubChem CID146474750
Molecular FormulaC27H30ClN5O4
Molecular Weight524.02 g/mol
Exact Mass523.20
IUPAC Name3-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2cc(OC)cc(OC)c2Cl)cc2cnc(-c3cnn(CCN4CCOCC4)c3)cc21
InChIInChI=1S/C27H30ClN5O4/c1-4-33-24-14-23(19-16-30-32(17-19)6-5-31-7-9-37-10-8-31)29-15-18(24)11-22(27(33)34)21-12-20(35-2)13-25(36-3)26(21)28/h11-17H,4-10H2,1-3H3
InChIKeyYZMLLLUPAXSFFT-UHFFFAOYSA-N
XLogP3.95
TPSA83.64 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.02
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one (CID 146474750) is 3-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one is CCn1c(=O)c(-c2cc(OC)cc(OC)c2Cl)cc2cnc(-c3cnn(CCN4CCOCC4)c3)cc21.
What is the InChIKey of 3-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one?
The InChIKey is YZMLLLUPAXSFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O4/c1-4-33-24-14-23(19-16-30-32(17-19)6-5-31-7-9-37-10-8-31)29-15-18(24)11-22(27(33)34)21-12-20(35-2)13-25(36-3)26(21)28/h11-17H,4-10H2,1-3H3.
What are the key properties of 3-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one?
3-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one has a molecular weight of 524.02 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one is sourced from PubChem (CID 146474750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).