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

C25H28FN9O — CID 134192977

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

N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-N-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]azetidine-3-carboxamide (PubChem CID 134192977) has the molecular formula C25H28FN9O and a molecular weight of 489.56 g/mol. Its IUPAC name is N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-N-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]azetidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-N-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]azetidine-3-carboxamide
• PubChem CID: 134192977
• Molecular Formula: C25H28FN9O
• Molecular Weight: 489.56 g/mol
• Exact Mass: 489.24
• IUPAC Name: N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-N-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]azetidine-3-carboxamide
• SMILES: Cc1cc(Nc2cc(C)[nH]n2)nc(N2CC(C(=O)N(C)[C@@H](C)c3ccc(-n4cc(F)cn4)nc3)C2)c1
• InChI: InChI=1S/C25H28FN9O/c1-15-7-21(29-22-9-16(2)31-32-22)30-24(8-15)34-12-19(13-34)25(36)33(4)17(3)18-5-6-23(27-10-18)35-14-20(26)11-28-35/h5-11,14,17,19H,12-13H2,1-4H3,(H2,29,30,31,32)/t17-/m0/s1
• InChIKey: BQEOFOLGMMHRGY-KRWDZBQOSA-N
• XLogP: 3.54
• TPSA: 107.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.56
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-N-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]azetidine-3-carboxamide (CID 134192977) is N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-N-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]azetidine-3-carboxamide.

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

The canonical SMILES for N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-N-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]azetidine-3-carboxamide is Cc1cc(Nc2cc(C)[nH]n2)nc(N2CC(C(=O)N(C)[C@@H](C)c3ccc(-n4cc(F)cn4)nc3)C2)c1.

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

The InChIKey is BQEOFOLGMMHRGY-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H28FN9O/c1-15-7-21(29-22-9-16(2)31-32-22)30-24(8-15)34-12-19(13-34)25(36)33(4)17(3)18-5-6-23(27-10-18)35-14-20(26)11-28-35/h5-11,14,17,19H,12-13H2,1-4H3,(H2,29,30,31,32)/t17-/m0/s1.

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

N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-N-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]azetidine-3-carboxamide has a molecular weight of 489.56 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-N-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]azetidine-3-carboxamide is sourced from PubChem (CID 134192977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).