6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide

C20H23FN8O — CID 77352547

About 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide

6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 77352547) has the molecular formula C20H23FN8O and a molecular weight of 410.46 g/mol. Its IUPAC name is 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide
• PubChem CID: 77352547
• Molecular Formula: C20H23FN8O
• Molecular Weight: 410.46 g/mol
• Exact Mass: 410.20
• IUPAC Name: 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide
• SMILES: NC(=O)c1cc(F)c(NC2CCCCC2N)nc1Nc1ccnc(-n2cccn2)c1
• InChI: InChI=1S/C20H23FN8O/c21-14-11-13(18(23)30)19(28-20(14)27-16-5-2-1-4-15(16)22)26-12-6-8-24-17(10-12)29-9-3-7-25-29/h3,6-11,15-16H,1-2,4-5,22H2,(H2,23,30)(H2,24,26,27,28)
• InChIKey: WKGGGGHFFNVCIS-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 136.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.46
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide?

The IUPAC name of 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide (CID 77352547) is 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide.

What is the SMILES notation for 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide?

The canonical SMILES for 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide is NC(=O)c1cc(F)c(NC2CCCCC2N)nc1Nc1ccnc(-n2cccn2)c1.

What is the InChIKey of 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide?

The InChIKey is WKGGGGHFFNVCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN8O/c21-14-11-13(18(23)30)19(28-20(14)27-16-5-2-1-4-15(16)22)26-12-6-8-24-17(10-12)29-9-3-7-25-29/h3,6-11,15-16H,1-2,4-5,22H2,(H2,23,30)(H2,24,26,27,28).

What are the key properties of 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide?

6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 410.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-pyrazol-1-yl-4-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 77352547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).