6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide

C18H26FN7O — CID 69284871

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide (PubChem CID 69284871) has the molecular formula C18H26FN7O and a molecular weight of 375.45 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide
• PubChem CID: 69284871
• Molecular Formula: C18H26FN7O
• Molecular Weight: 375.45 g/mol
• Exact Mass: 375.22
• IUPAC Name: 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide
• SMILES: CC(C)n1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(F)cc2C(N)=O)cn1
• InChI: InChI=1S/C18H26FN7O/c1-10(2)26-9-11(8-22-26)23-17-12(16(21)27)7-13(19)18(25-17)24-15-6-4-3-5-14(15)20/h7-10,14-15H,3-6,20H2,1-2H3,(H2,21,27)(H2,23,24,25)/t14-,15+/m0/s1
• InChIKey: NSBVTPSGUQIAGE-LSDHHAIUSA-N
• XLogP: 2.52
• TPSA: 123.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.45
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide?

The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide (CID 69284871) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide.

What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide?

The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide is CC(C)n1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(F)cc2C(N)=O)cn1.

What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide?

The InChIKey is NSBVTPSGUQIAGE-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H26FN7O/c1-10(2)26-9-11(8-22-26)23-17-12(16(21)27)7-13(19)18(25-17)24-15-6-4-3-5-14(15)20/h7-10,14-15H,3-6,20H2,1-2H3,(H2,21,27)(H2,23,24,25)/t14-,15+/m0/s1.

What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide?

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 69284871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).