10-chloro-6-cyclopropyl-9-[1-(difluoromethyl)pyrazol-4-yl]-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid

C20H15ClF2N4O3 — CID 146440103

IUPAC10-chloro-6-cyclopropyl-9-[1-(difluoromethyl)pyrazol-4-yl]-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
SMILESO=C(O)c1cn2c(cc1=O)-c1cc(Cl)c(-c3cnn(C(F)F)c3)cc1CN2C1CC1
InChIInChI=1S/C20H15ClF2N4O3/c21-16-4-14-10(3-13(16)11-6-24-25(7-11)20(22)23)8-26(12-1-2-12)27-9-15(19(29)30)18(28)5-17(14)27/h3-7,9,12,20H,1-2,8H2,(H,29,30)
InChIKeyONXAAPJNYCLOAD-UHFFFAOYSA-N
MW432.81 g/mol
LogP3.74
Rot. Bonds4

About 10-chloro-6-cyclopropyl-9-[1-(difluoromethyl)pyrazol-4-yl]-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid

10-chloro-6-cyclopropyl-9-[1-(difluoromethyl)pyrazol-4-yl]-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid (PubChem CID 146440103) has the molecular formula C20H15ClF2N4O3 and a molecular weight of 432.81 g/mol. Its IUPAC name is 10-chloro-6-cyclopropyl-9-[1-(difluoromethyl)pyrazol-4-yl]-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid.

Molecular Properties

Compound Name10-chloro-6-cyclopropyl-9-[1-(difluoromethyl)pyrazol-4-yl]-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
PubChem CID146440103
Molecular FormulaC20H15ClF2N4O3
Molecular Weight432.81 g/mol
Exact Mass432.08
IUPAC Name10-chloro-6-cyclopropyl-9-[1-(difluoromethyl)pyrazol-4-yl]-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
SMILESO=C(O)c1cn2c(cc1=O)-c1cc(Cl)c(-c3cnn(C(F)F)c3)cc1CN2C1CC1
InChIInChI=1S/C20H15ClF2N4O3/c21-16-4-14-10(3-13(16)11-6-24-25(7-11)20(22)23)8-26(12-1-2-12)27-9-15(19(29)30)18(28)5-17(14)27/h3-7,9,12,20H,1-2,8H2,(H,29,30)
InChIKeyONXAAPJNYCLOAD-UHFFFAOYSA-N
XLogP3.74
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-acetyl-10-chloro-6-cyclopropyl-9-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrido[2,1-a]phthalazin-2-one
CID 160701305
3-acetyl-10-chloro-9-[1-(difluoromethyl)pyrazol-4-yl]-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one
CID 161038517
6-cyclobutyl-10-methoxy-2-oxo-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
CID 146440327
(6R)-10-chloro-9-[1-(difluoromethyl)pyrazol-4-yl]-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-16-carboxylic acid
CID 135296952
5-chloro-9-[1-(difluoromethyl)pyrazol-4-yl]-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-16-carboxylic acid
CID 135290368
10-methoxy-9-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
CID 146440170
4-[1-(difluoromethyl)pyrazol-4-yl]-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid
CID 146515155
4-[1-(difluoromethyl)pyrazol-4-yl]-2,2-dimethyl-11-oxo-7-propan-2-yl-6,7-dihydro-1H-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid
CID 146515201
10-methoxy-9-[1-(1-methoxy-2-methylpropan-2-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
CID 146440026
10-(difluoromethyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-6-propan-2-yl-7H-benzo[a]quinolizine-3-carboxylic acid
CID 135314047
4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylbenzoic acid
CID 171392245
(7R)-4-[1-(difluoromethyl)pyrazol-4-yl]-10-(1-hydroxyethenyl)-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizin-11-one
CID 163803085

Frequently Asked Questions

What is the IUPAC name of 10-chloro-6-cyclopropyl-9-[1-(difluoromethyl)pyrazol-4-yl]-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?
The IUPAC name of 10-chloro-6-cyclopropyl-9-[1-(difluoromethyl)pyrazol-4-yl]-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid (CID 146440103) is 10-chloro-6-cyclopropyl-9-[1-(difluoromethyl)pyrazol-4-yl]-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid.
What is the SMILES notation for 10-chloro-6-cyclopropyl-9-[1-(difluoromethyl)pyrazol-4-yl]-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?
The canonical SMILES for 10-chloro-6-cyclopropyl-9-[1-(difluoromethyl)pyrazol-4-yl]-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid is O=C(O)c1cn2c(cc1=O)-c1cc(Cl)c(-c3cnn(C(F)F)c3)cc1CN2C1CC1.
What is the InChIKey of 10-chloro-6-cyclopropyl-9-[1-(difluoromethyl)pyrazol-4-yl]-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?
The InChIKey is ONXAAPJNYCLOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N4O3/c21-16-4-14-10(3-13(16)11-6-24-25(7-11)20(22)23)8-26(12-1-2-12)27-9-15(19(29)30)18(28)5-17(14)27/h3-7,9,12,20H,1-2,8H2,(H,29,30).
What are the key properties of 10-chloro-6-cyclopropyl-9-[1-(difluoromethyl)pyrazol-4-yl]-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?
10-chloro-6-cyclopropyl-9-[1-(difluoromethyl)pyrazol-4-yl]-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid has a molecular weight of 432.81 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-6-cyclopropyl-9-[1-(difluoromethyl)pyrazol-4-yl]-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid is sourced from PubChem (CID 146440103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).