7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluorophenyl)methyl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinoline

C28H28FN5O2 — CID 123308450

IUPAC7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluorophenyl)methyl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinoline
SMILESCOc1cc2c(cc1-c1c(C)n[nH]c1C)ncc1nc(C3CCOCC3)n(Cc3ccc(F)cc3)c12
InChIInChI=1S/C28H28FN5O2/c1-16-26(17(2)33-32-16)22-12-23-21(13-25(22)35-3)27-24(14-30-23)31-28(19-8-10-36-11-9-19)34(27)15-18-4-6-20(29)7-5-18/h4-7,12-14,19H,8-11,15H2,1-3H3,(H,32,33)
InChIKeyKSYYCSIXQLWSHB-UHFFFAOYSA-N
MW485.56 g/mol
LogP5.68
Rot. Bonds5

About 7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluorophenyl)methyl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinoline

7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluorophenyl)methyl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinoline (PubChem CID 123308450) has the molecular formula C28H28FN5O2 and a molecular weight of 485.56 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluorophenyl)methyl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluorophenyl)methyl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinoline
PubChem CID123308450
Molecular FormulaC28H28FN5O2
Molecular Weight485.56 g/mol
Exact Mass485.22
IUPAC Name7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluorophenyl)methyl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinoline
SMILESCOc1cc2c(cc1-c1c(C)n[nH]c1C)ncc1nc(C3CCOCC3)n(Cc3ccc(F)cc3)c12
InChIInChI=1S/C28H28FN5O2/c1-16-26(17(2)33-32-16)22-12-23-21(13-25(22)35-3)27-24(14-30-23)31-28(19-8-10-36-11-9-19)34(27)15-18-4-6-20(29)7-5-18/h4-7,12-14,19H,8-11,15H2,1-3H3,(H,32,33)
InChIKeyKSYYCSIXQLWSHB-UHFFFAOYSA-N
XLogP5.68
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.56
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473640
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-(1-methylpiperidin-4-yl)-1H-benzimidazole
CID 137133138
6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 9860448
4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
CID 57403377
6-(3-fluoro-2-methyl-4-pyridinyl)-5-methoxy-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine
CID 166635576
6H-Pyrido(4,3-b)carbazol-1-amine, N-(3-(1H-imidazol-1-yl)propyl)-9-methoxy-5-methyl-
CID 153594
7-(3,4-Dimethoxyphenyl)-N-1H-indazol-6-ylimidazo[1,2-c]pyrimidin-5-amine
CID 9952136
5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1H-1,2,4-triazol-3-amine
CID 46864276
9-Methoxy-2-methyl-5-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)pyrazolo[1,5-c]quinazoline
CID 53323881
N-(5-propan-2-yl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394643
6-(1H-indazol-6-yl)-N-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473155
6-(1H-indazol-6-yl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473273

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluorophenyl)methyl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinoline?
The IUPAC name of 7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluorophenyl)methyl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinoline (CID 123308450) is 7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluorophenyl)methyl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluorophenyl)methyl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinoline?
The canonical SMILES for 7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluorophenyl)methyl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinoline is COc1cc2c(cc1-c1c(C)n[nH]c1C)ncc1nc(C3CCOCC3)n(Cc3ccc(F)cc3)c12.
What is the InChIKey of 7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluorophenyl)methyl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinoline?
The InChIKey is KSYYCSIXQLWSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O2/c1-16-26(17(2)33-32-16)22-12-23-21(13-25(22)35-3)27-24(14-30-23)31-28(19-8-10-36-11-9-19)34(27)15-18-4-6-20(29)7-5-18/h4-7,12-14,19H,8-11,15H2,1-3H3,(H,32,33).
What are the key properties of 7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluorophenyl)methyl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinoline?
7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluorophenyl)methyl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinoline has a molecular weight of 485.56 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluorophenyl)methyl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 123308450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).