4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane

C26H29ClFN5O — CID 166122275

IUPAC4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane
SMILESC1CCOCC1.Cc1cc2c(-c3ccc(Cl)cc3F)ncnc2nc1C.c1cnn(C2CC2)c1
InChIInChI=1S/C15H11ClFN3.C6H8N2.C5H10O/c1-8-5-12-14(11-4-3-10(16)6-13(11)17)18-7-19-15(12)20-9(8)2;1-4-7-8(5-1)6-2-3-6;1-2-4-6-5-3-1/h3-7H,1-2H3;1,4-6H,2-3H2;1-5H2
InChIKeyUVBFSXPDCMQNPJ-UHFFFAOYSA-N
MW482.00 g/mol
LogP6.51
Rot. Bonds2

About 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane

4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane (PubChem CID 166122275) has the molecular formula C26H29ClFN5O and a molecular weight of 482.00 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane
PubChem CID166122275
Molecular FormulaC26H29ClFN5O
Molecular Weight482.00 g/mol
Exact Mass481.20
IUPAC Name4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane
SMILESC1CCOCC1.Cc1cc2c(-c3ccc(Cl)cc3F)ncnc2nc1C.c1cnn(C2CC2)c1
InChIInChI=1S/C15H11ClFN3.C6H8N2.C5H10O/c1-8-5-12-14(11-4-3-10(16)6-13(11)17)18-7-19-15(12)20-9(8)2;1-4-7-8(5-1)6-2-3-6;1-2-4-6-5-3-1/h3-7H,1-2H3;1,4-6H,2-3H2;1-5H2
InChIKeyUVBFSXPDCMQNPJ-UHFFFAOYSA-N
XLogP6.51
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.00
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopropylpyrazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxepane
CID 166122534
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-methylpyrazole;oxane
CID 157044828
4-(4-chloro-2-fluorophenyl)-7-(2,2,2-trifluoroethyl)pteridine;1-cyclopropylpyrazole;oxane
CID 166121626
1-cyclopropylpyrazole;4-[2-fluoro-4-(trifluoromethoxy)phenyl]-6,7-dimethylpteridine;oxane
CID 166123369
8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazine;1-methylpyrazole;oxane
CID 157044450
6-chloro-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine;1-cyclopropyl-4-(oxan-2-yl)pyrazole
CID 166122557
1-cyclopropylpyrazole;6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridine;oxane
CID 166122541
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole
CID 166122886
5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazine;1-methylpyrazole;oxane
CID 157045039
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
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-(oxan-4-yl)-1,8-naphthyridine
CID 166121652

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane (CID 166122275) is 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane is C1CCOCC1.Cc1cc2c(-c3ccc(Cl)cc3F)ncnc2nc1C.c1cnn(C2CC2)c1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane?
The InChIKey is UVBFSXPDCMQNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3.C6H8N2.C5H10O/c1-8-5-12-14(11-4-3-10(16)6-13(11)17)18-7-19-15(12)20-9(8)2;1-4-7-8(5-1)6-2-3-6;1-2-4-6-5-3-1/h3-7H,1-2H3;1,4-6H,2-3H2;1-5H2.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane?
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane has a molecular weight of 482.00 g/mol, XLogP of 6.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane is sourced from PubChem (CID 166122275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).