(2S,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-3-carboxamide

C24H27FN10O — CID 134193281

About (2S,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-3-carboxamide

(2S,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-3-carboxamide (PubChem CID 134193281) has the molecular formula C24H27FN10O and a molecular weight of 490.55 g/mol. Its IUPAC name is (2S,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-3-carboxamide.

Molecular Properties

• Compound Name: (2S,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-3-carboxamide
• PubChem CID: 134193281
• Molecular Formula: C24H27FN10O
• Molecular Weight: 490.55 g/mol
• Exact Mass: 490.24
• IUPAC Name: (2S,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-3-carboxamide
• SMILES: Cc1cc(Nc2cc(C)[nH]n2)nc(N2C[C@@H](C(=O)N[C@@H](C)c3ccc(-n4cc(F)cn4)nc3)[C@@H]2C)n1
• InChI: InChI=1S/C24H27FN10O/c1-13-7-20(30-21-8-14(2)32-33-21)31-24(28-13)34-12-19(16(34)4)23(36)29-15(3)17-5-6-22(26-9-17)35-11-18(25)10-27-35/h5-11,15-16,19H,12H2,1-4H3,(H,29,36)(H2,28,30,31,32,33)/t15-,16-,19+/m0/s1
• InChIKey: SMKDDSMCODULIK-TXPKVOOTSA-N
• XLogP: 2.98
• TPSA: 129.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.55
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-3-carboxamide?

The IUPAC name of (2S,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-3-carboxamide (CID 134193281) is (2S,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-3-carboxamide.

What is the SMILES notation for (2S,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-3-carboxamide?

The canonical SMILES for (2S,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-3-carboxamide is Cc1cc(Nc2cc(C)[nH]n2)nc(N2C[C@@H](C(=O)N[C@@H](C)c3ccc(-n4cc(F)cn4)nc3)[C@@H]2C)n1.

What is the InChIKey of (2S,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-3-carboxamide?

The InChIKey is SMKDDSMCODULIK-TXPKVOOTSA-N. The full InChI is InChI=1S/C24H27FN10O/c1-13-7-20(30-21-8-14(2)32-33-21)31-24(28-13)34-12-19(16(34)4)23(36)29-15(3)17-5-6-22(26-9-17)35-11-18(25)10-27-35/h5-11,15-16,19H,12H2,1-4H3,(H,29,36)(H2,28,30,31,32,33)/t15-,16-,19+/m0/s1.

What are the key properties of (2S,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-3-carboxamide?

(2S,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-3-carboxamide has a molecular weight of 490.55 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-3-carboxamide is sourced from PubChem (CID 134193281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).