2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine

C26H25F2N5O — CID 157044566

About 2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine

2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine (PubChem CID 157044566) has the molecular formula C26H25F2N5O and a molecular weight of 461.52 g/mol. Its IUPAC name is 2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine
• PubChem CID: 157044566
• Molecular Formula: C26H25F2N5O
• Molecular Weight: 461.52 g/mol
• Exact Mass: 461.20
• IUPAC Name: 2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine
• SMILES: Cc1ccc2c(-c3ccc(F)cc3F)nc([C@H]3C[C@@H](c4cnn(C5CC5)c4)O[C@@H](C)C3)nc2n1
• InChI: InChI=1S/C26H25F2N5O/c1-14-3-7-21-24(20-8-4-18(27)11-22(20)28)31-25(32-26(21)30-14)16-9-15(2)34-23(10-16)17-12-29-33(13-17)19-5-6-19/h3-4,7-8,11-13,15-16,19,23H,5-6,9-10H2,1-2H3/t15-,16+,23-/m0/s1
• InChIKey: PLPNNRVMQJOYEN-PXAQALGRSA-N
• XLogP: 5.83
• TPSA: 65.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.52
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine?

The IUPAC name of 2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine (CID 157044566) is 2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine.

What is the SMILES notation for 2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine?

The canonical SMILES for 2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine is Cc1ccc2c(-c3ccc(F)cc3F)nc([C@H]3C[C@@H](c4cnn(C5CC5)c4)O[C@@H](C)C3)nc2n1.

What is the InChIKey of 2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine?

The InChIKey is PLPNNRVMQJOYEN-PXAQALGRSA-N. The full InChI is InChI=1S/C26H25F2N5O/c1-14-3-7-21-24(20-8-4-18(27)11-22(20)28)31-25(32-26(21)30-14)16-9-15(2)34-23(10-16)17-12-29-33(13-17)19-5-6-19/h3-4,7-8,11-13,15-16,19,23H,5-6,9-10H2,1-2H3/t15-,16+,23-/m0/s1.

What are the key properties of 2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine?

2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine has a molecular weight of 461.52 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 157044566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).