5-fluoro-2-[(5-imidazol-1-yl-3-pyridinyl)amino]-6-[[(1R,2S)-2-(methylamino)cyclohexyl]amino]pyridine-3-carboxamide

C21H25FN8O — CID 129192209

About 5-fluoro-2-[(5-imidazol-1-yl-3-pyridinyl)amino]-6-[[(1R,2S)-2-(methylamino)cyclohexyl]amino]pyridine-3-carboxamide

5-fluoro-2-[(5-imidazol-1-yl-3-pyridinyl)amino]-6-[[(1R,2S)-2-(methylamino)cyclohexyl]amino]pyridine-3-carboxamide (PubChem CID 129192209) has the molecular formula C21H25FN8O and a molecular weight of 424.48 g/mol. Its IUPAC name is 5-fluoro-2-[(5-imidazol-1-yl-3-pyridinyl)amino]-6-[[(1R,2S)-2-(methylamino)cyclohexyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-2-[(5-imidazol-1-yl-3-pyridinyl)amino]-6-[[(1R,2S)-2-(methylamino)cyclohexyl]amino]pyridine-3-carboxamide
• PubChem CID: 129192209
• Molecular Formula: C21H25FN8O
• Molecular Weight: 424.48 g/mol
• Exact Mass: 424.21
• IUPAC Name: 5-fluoro-2-[(5-imidazol-1-yl-3-pyridinyl)amino]-6-[[(1R,2S)-2-(methylamino)cyclohexyl]amino]pyridine-3-carboxamide
• SMILES: CN[C@H]1CCCC[C@H]1Nc1nc(Nc2cncc(-n3ccnc3)c2)c(C(N)=O)cc1F
• InChI: InChI=1S/C21H25FN8O/c1-24-17-4-2-3-5-18(17)28-21-16(22)9-15(19(23)31)20(29-21)27-13-8-14(11-26-10-13)30-7-6-25-12-30/h6-12,17-18,24H,2-5H2,1H3,(H2,23,31)(H2,27,28,29)/t17-,18+/m0/s1
• InChIKey: YPZIGTREGXULBJ-ZWKOTPCHSA-N
• XLogP: 2.59
• TPSA: 122.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.48
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(5-imidazol-1-yl-3-pyridinyl)amino]-6-[[(1R,2S)-2-(methylamino)cyclohexyl]amino]pyridine-3-carboxamide?

The IUPAC name of 5-fluoro-2-[(5-imidazol-1-yl-3-pyridinyl)amino]-6-[[(1R,2S)-2-(methylamino)cyclohexyl]amino]pyridine-3-carboxamide (CID 129192209) is 5-fluoro-2-[(5-imidazol-1-yl-3-pyridinyl)amino]-6-[[(1R,2S)-2-(methylamino)cyclohexyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 5-fluoro-2-[(5-imidazol-1-yl-3-pyridinyl)amino]-6-[[(1R,2S)-2-(methylamino)cyclohexyl]amino]pyridine-3-carboxamide?

The canonical SMILES for 5-fluoro-2-[(5-imidazol-1-yl-3-pyridinyl)amino]-6-[[(1R,2S)-2-(methylamino)cyclohexyl]amino]pyridine-3-carboxamide is CN[C@H]1CCCC[C@H]1Nc1nc(Nc2cncc(-n3ccnc3)c2)c(C(N)=O)cc1F.

What is the InChIKey of 5-fluoro-2-[(5-imidazol-1-yl-3-pyridinyl)amino]-6-[[(1R,2S)-2-(methylamino)cyclohexyl]amino]pyridine-3-carboxamide?

The InChIKey is YPZIGTREGXULBJ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H25FN8O/c1-24-17-4-2-3-5-18(17)28-21-16(22)9-15(19(23)31)20(29-21)27-13-8-14(11-26-10-13)30-7-6-25-12-30/h6-12,17-18,24H,2-5H2,1H3,(H2,23,31)(H2,27,28,29)/t17-,18+/m0/s1.

What are the key properties of 5-fluoro-2-[(5-imidazol-1-yl-3-pyridinyl)amino]-6-[[(1R,2S)-2-(methylamino)cyclohexyl]amino]pyridine-3-carboxamide?

5-fluoro-2-[(5-imidazol-1-yl-3-pyridinyl)amino]-6-[[(1R,2S)-2-(methylamino)cyclohexyl]amino]pyridine-3-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 2.59, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-[(5-imidazol-1-yl-3-pyridinyl)amino]-6-[[(1R,2S)-2-(methylamino)cyclohexyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 129192209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).