6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-6-yl)amino]pyridine-3-carboxamide

C20H23F2N7O — CID 163988793

About 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-6-yl)amino]pyridine-3-carboxamide

6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-6-yl)amino]pyridine-3-carboxamide (PubChem CID 163988793) has the molecular formula C20H23F2N7O and a molecular weight of 415.45 g/mol. Its IUPAC name is 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-6-yl)amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-6-yl)amino]pyridine-3-carboxamide
• PubChem CID: 163988793
• Molecular Formula: C20H23F2N7O
• Molecular Weight: 415.45 g/mol
• Exact Mass: 415.19
• IUPAC Name: 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-6-yl)amino]pyridine-3-carboxamide
• SMILES: Cn1nc(F)c2ccc(Nc3nc(N[C@@H]4CCCCC4N)c(F)cc3C(N)=O)cc21
• InChI: InChI=1S/C20H23F2N7O/c1-29-16-8-10(6-7-11(16)17(22)28-29)25-19-12(18(24)30)9-13(21)20(27-19)26-15-5-3-2-4-14(15)23/h6-9,14-15H,2-5,23H2,1H3,(H2,24,30)(H2,25,26,27)/t14?,15-/m1/s1
• InChIKey: TYSGVBPMIDBSSS-YSSOQSIOSA-N
• XLogP: 2.77
• TPSA: 123.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.45
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-6-yl)amino]pyridine-3-carboxamide (CID 163988793) is 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-6-yl)amino]pyridine-3-carboxamide.

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

The canonical SMILES for 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-6-yl)amino]pyridine-3-carboxamide is Cn1nc(F)c2ccc(Nc3nc(N[C@@H]4CCCCC4N)c(F)cc3C(N)=O)cc21.

What is the InChIKey of 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-6-yl)amino]pyridine-3-carboxamide?

The InChIKey is TYSGVBPMIDBSSS-YSSOQSIOSA-N. The full InChI is InChI=1S/C20H23F2N7O/c1-29-16-8-10(6-7-11(16)17(22)28-29)25-19-12(18(24)30)9-13(21)20(27-19)26-15-5-3-2-4-14(15)23/h6-9,14-15H,2-5,23H2,1H3,(H2,24,30)(H2,25,26,27)/t14?,15-/m1/s1.

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

6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-6-yl)amino]pyridine-3-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-6-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 163988793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).