1-(3-fluoro-5-prop-2-enyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

C23H19FN6O2 — CID 145161877

IUPAC1-(3-fluoro-5-prop-2-enyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESC=CCc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cn[nH]c5)cc4c32)c(F)c1
InChIInChI=1S/C23H19FN6O2/c1-4-5-13-6-17(24)22(26-9-13)30-21-16-7-15(14-10-27-28-11-14)20(32-3)8-18(16)25-12-19(21)29(2)23(30)31/h4,6-12H,1,5H2,2-3H3,(H,27,28)
InChIKeyNOLFWTDGHYGNQY-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.54
Rot. Bonds5

About 1-(3-fluoro-5-prop-2-enyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

1-(3-fluoro-5-prop-2-enyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 145161877) has the molecular formula C23H19FN6O2 and a molecular weight of 430.44 g/mol. Its IUPAC name is 1-(3-fluoro-5-prop-2-enyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-5-prop-2-enyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID145161877
Molecular FormulaC23H19FN6O2
Molecular Weight430.44 g/mol
Exact Mass430.16
IUPAC Name1-(3-fluoro-5-prop-2-enyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESC=CCc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cn[nH]c5)cc4c32)c(F)c1
InChIInChI=1S/C23H19FN6O2/c1-4-5-13-6-17(24)22(26-9-13)30-21-16-7-15(14-10-27-28-11-14)20(32-3)8-18(16)25-12-19(21)29(2)23(30)31/h4,6-12H,1,5H2,2-3H3,(H,27,28)
InChIKeyNOLFWTDGHYGNQY-UHFFFAOYSA-N
XLogP3.54
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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1-[[2-(difluoromethoxy)phenyl]methyl]-3-[3-(2-methylpyridin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
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1-[(2-fluoro-6-methoxyphenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044798
1-[(4-fluoro-2-methoxyphenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-prop-2-enyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3-fluoro-5-prop-2-enyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 145161877) is 1-(3-fluoro-5-prop-2-enyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3-fluoro-5-prop-2-enyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3-fluoro-5-prop-2-enyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is C=CCc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cn[nH]c5)cc4c32)c(F)c1.
What is the InChIKey of 1-(3-fluoro-5-prop-2-enyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is NOLFWTDGHYGNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O2/c1-4-5-13-6-17(24)22(26-9-13)30-21-16-7-15(14-10-27-28-11-14)20(32-3)8-18(16)25-12-19(21)29(2)23(30)31/h4,6-12H,1,5H2,2-3H3,(H,27,28).
What are the key properties of 1-(3-fluoro-5-prop-2-enyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-(3-fluoro-5-prop-2-enyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 430.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-prop-2-enyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 145161877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).