6-chloro-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine;1-cyclopropyl-4-(oxan-2-yl)pyrazole

C25H24ClF2N5O — CID 166122557

IUPAC6-chloro-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine;1-cyclopropyl-4-(oxan-2-yl)pyrazole
SMILESCc1nc2ncnc(-c3ccc(F)cc3F)c2cc1Cl.c1nn(C2CC2)cc1C1CCCCO1
InChIInChI=1S/C14H8ClF2N3.C11H16N2O/c1-7-11(15)5-10-13(18-6-19-14(10)20-7)9-3-2-8(16)4-12(9)17;1-2-6-14-11(3-1)9-7-12-13(8-9)10-4-5-10/h2-6H,1H3;7-8,10-11H,1-6H2
InChIKeyJODVWMMPUYZFFF-UHFFFAOYSA-N
MW483.95 g/mol
LogP6.39
Rot. Bonds3

About 6-chloro-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine;1-cyclopropyl-4-(oxan-2-yl)pyrazole

6-chloro-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine;1-cyclopropyl-4-(oxan-2-yl)pyrazole (PubChem CID 166122557) has the molecular formula C25H24ClF2N5O and a molecular weight of 483.95 g/mol. Its IUPAC name is 6-chloro-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine;1-cyclopropyl-4-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name6-chloro-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine;1-cyclopropyl-4-(oxan-2-yl)pyrazole
PubChem CID166122557
Molecular FormulaC25H24ClF2N5O
Molecular Weight483.95 g/mol
Exact Mass483.16
IUPAC Name6-chloro-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine;1-cyclopropyl-4-(oxan-2-yl)pyrazole
SMILESCc1nc2ncnc(-c3ccc(F)cc3F)c2cc1Cl.c1nn(C2CC2)cc1C1CCCCO1
InChIInChI=1S/C14H8ClF2N3.C11H16N2O/c1-7-11(15)5-10-13(18-6-19-14(10)20-7)9-3-2-8(16)4-12(9)17;1-2-6-14-11(3-1)9-7-12-13(8-9)10-4-5-10/h2-6H,1H3;7-8,10-11H,1-6H2
InChIKeyJODVWMMPUYZFFF-UHFFFAOYSA-N
XLogP6.39
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.95
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole
CID 166122277
1-cyclopropyl-4-(oxan-2-yl)pyrazole;4-(2-fluoro-4-methoxyphenyl)-6,7-dimethylpteridine
CID 166122263
4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole
CID 166122042
4-(4-chloro-2-fluorophenyl)-7-(2,2,2-trifluoroethyl)pteridine;1-cyclopropyl-4-(oxan-2-yl)pyrazole
CID 166122429
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole
CID 166122886
4-(4-chloro-2-fluorophenyl)-2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpyrido[2,3-d]pyrimidine
CID 157044857
4-(4-chloro-2-fluorophenyl)-2-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpyrido[2,3-d]pyrimidine
CID 157045736
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane
CID 166122275
2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine
CID 166123010
1-cyclopropylpyrazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxepane
CID 166122534
2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylphthalazin-1-one
CID 168887014
2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylphthalazin-1-one
CID 168887172

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine;1-cyclopropyl-4-(oxan-2-yl)pyrazole?
The IUPAC name of 6-chloro-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine;1-cyclopropyl-4-(oxan-2-yl)pyrazole (CID 166122557) is 6-chloro-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine;1-cyclopropyl-4-(oxan-2-yl)pyrazole.
What is the SMILES notation for 6-chloro-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine;1-cyclopropyl-4-(oxan-2-yl)pyrazole?
The canonical SMILES for 6-chloro-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine;1-cyclopropyl-4-(oxan-2-yl)pyrazole is Cc1nc2ncnc(-c3ccc(F)cc3F)c2cc1Cl.c1nn(C2CC2)cc1C1CCCCO1.
What is the InChIKey of 6-chloro-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine;1-cyclopropyl-4-(oxan-2-yl)pyrazole?
The InChIKey is JODVWMMPUYZFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N3.C11H16N2O/c1-7-11(15)5-10-13(18-6-19-14(10)20-7)9-3-2-8(16)4-12(9)17;1-2-6-14-11(3-1)9-7-12-13(8-9)10-4-5-10/h2-6H,1H3;7-8,10-11H,1-6H2.
What are the key properties of 6-chloro-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine;1-cyclopropyl-4-(oxan-2-yl)pyrazole?
6-chloro-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine;1-cyclopropyl-4-(oxan-2-yl)pyrazole has a molecular weight of 483.95 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine;1-cyclopropyl-4-(oxan-2-yl)pyrazole is sourced from PubChem (CID 166122557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).