[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol

C24H26ClF2N5O3 — CID 129303848

IUPAC[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol
SMILESCOc1nc2ccc(C(O)(c3cn(C)nc3C)c3cnc(C)n3C)cc2c(Cl)c1OCC(C)(F)F
InChIInChI=1S/C24H26ClF2N5O3/c1-13-17(11-31(4)30-13)24(33,19-10-28-14(2)32(19)5)15-7-8-18-16(9-15)20(25)21(22(29-18)34-6)35-12-23(3,26)27/h7-11,33H,12H2,1-6H3
InChIKeyPMFHRPDBUKTKIG-UHFFFAOYSA-N
MW505.95 g/mol
LogP4.30
Rot. Bonds7

About [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol

[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol (PubChem CID 129303848) has the molecular formula C24H26ClF2N5O3 and a molecular weight of 505.95 g/mol. Its IUPAC name is [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol
PubChem CID129303848
Molecular FormulaC24H26ClF2N5O3
Molecular Weight505.95 g/mol
Exact Mass505.17
IUPAC Name[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol
SMILESCOc1nc2ccc(C(O)(c3cn(C)nc3C)c3cnc(C)n3C)cc2c(Cl)c1OCC(C)(F)F
InChIInChI=1S/C24H26ClF2N5O3/c1-13-17(11-31(4)30-13)24(33,19-10-28-14(2)32(19)5)15-7-8-18-16(9-15)20(25)21(22(29-18)34-6)35-12-23(3,26)27/h7-11,33H,12H2,1-6H3
InChIKeyPMFHRPDBUKTKIG-UHFFFAOYSA-N
XLogP4.30
TPSA87.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.95
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol?
The IUPAC name of [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol (CID 129303848) is [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol.
What is the SMILES notation for [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol?
The canonical SMILES for [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol is COc1nc2ccc(C(O)(c3cn(C)nc3C)c3cnc(C)n3C)cc2c(Cl)c1OCC(C)(F)F.
What is the InChIKey of [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol?
The InChIKey is PMFHRPDBUKTKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF2N5O3/c1-13-17(11-31(4)30-13)24(33,19-10-28-14(2)32(19)5)15-7-8-18-16(9-15)20(25)21(22(29-18)34-6)35-12-23(3,26)27/h7-11,33H,12H2,1-6H3.
What are the key properties of [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol?
[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol has a molecular weight of 505.95 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3-dimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 129303848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).