4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine

C25H25ClFN5O — CID 157045092

IUPAC4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine
SMILESCc1cc2c(-c3ccc(Cl)cc3F)nc([C@@H]3C[C@@H](C)O[C@@H](c4cnn(C)c4)C3)nc2nc1C
InChIInChI=1S/C25H25ClFN5O/c1-13-7-20-23(19-6-5-18(26)10-21(19)27)30-24(31-25(20)29-15(13)3)16-8-14(2)33-22(9-16)17-11-28-32(4)12-17/h5-7,10-12,14,16,22H,8-9H2,1-4H3/t14-,16-,22-/m1/s1
InChIKeyNRNSYHPYZQHQKD-VKIFBMEASA-N
MW465.96 g/mol
LogP5.86
Rot. Bonds3

About 4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine

4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine (PubChem CID 157045092) has the molecular formula C25H25ClFN5O and a molecular weight of 465.96 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine
PubChem CID157045092
Molecular FormulaC25H25ClFN5O
Molecular Weight465.96 g/mol
Exact Mass465.17
IUPAC Name4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine
SMILESCc1cc2c(-c3ccc(Cl)cc3F)nc([C@@H]3C[C@@H](C)O[C@@H](c4cnn(C)c4)C3)nc2nc1C
InChIInChI=1S/C25H25ClFN5O/c1-13-7-20-23(19-6-5-18(26)10-21(19)27)30-24(31-25(20)29-15(13)3)16-8-14(2)33-22(9-16)17-11-28-32(4)12-17/h5-7,10-12,14,16,22H,8-9H2,1-4H3/t14-,16-,22-/m1/s1
InChIKeyNRNSYHPYZQHQKD-VKIFBMEASA-N
XLogP5.86
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.96
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine with MolForge

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Related Compounds

4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine
CID 174195438
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine
CID 157045878
8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,4S,6S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine
CID 157044366
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-dimethyl-2-[(2R,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine
CID 157044971
2-[(2R,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine
CID 157045746
4-(4-chloro-2-fluorophenyl)-2-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-methylpyrido[2,3-d]pyrimidine
CID 166561399
2-[(2R,4R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-6,7-dimethyl-4-(2,4,5-trifluorophenyl)pteridine
CID 166122734
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[3,4-b]pyrazine
CID 157044391
5-(4-chloro-2-fluorophenyl)-2-methyl-7-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[3,4-b]pyrazine
CID 157045194
4-(4-chloro-2-fluorophenyl)-2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6-methoxy-7-methylpteridine
CID 166122783

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine (CID 157045092) is 4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine is Cc1cc2c(-c3ccc(Cl)cc3F)nc([C@@H]3C[C@@H](C)O[C@@H](c4cnn(C)c4)C3)nc2nc1C.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine?
The InChIKey is NRNSYHPYZQHQKD-VKIFBMEASA-N. The full InChI is InChI=1S/C25H25ClFN5O/c1-13-7-20-23(19-6-5-18(26)10-21(19)27)30-24(31-25(20)29-15(13)3)16-8-14(2)33-22(9-16)17-11-28-32(4)12-17/h5-7,10-12,14,16,22H,8-9H2,1-4H3/t14-,16-,22-/m1/s1.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine?
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine has a molecular weight of 465.96 g/mol, XLogP of 5.86, 3 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-dimethyl-2-[(2R,4R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 157045092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).