N-[5-[7-[[4-(dimethylamino)cyclohexyl]amino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]acetamide

C25H30FN7O — CID 167002564

About N-[5-[7-[[4-(dimethylamino)cyclohexyl]amino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]acetamide

N-[5-[7-[[4-(dimethylamino)cyclohexyl]amino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]acetamide (PubChem CID 167002564) has the molecular formula C25H30FN7O and a molecular weight of 463.56 g/mol. Its IUPAC name is N-[5-[7-[[4-(dimethylamino)cyclohexyl]amino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[7-[[4-(dimethylamino)cyclohexyl]amino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]acetamide
• PubChem CID: 167002564
• Molecular Formula: C25H30FN7O
• Molecular Weight: 463.56 g/mol
• Exact Mass: 463.25
• IUPAC Name: N-[5-[7-[[4-(dimethylamino)cyclohexyl]amino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]acetamide
• SMILES: CC(=O)Nc1cc2cc(-c3c(C)c(F)c(NC4CCC(N(C)C)CC4)c4[nH]ncc34)ccn2n1
• InChI: InChI=1S/C25H30FN7O/c1-14-22(16-9-10-33-19(11-16)12-21(31-33)28-15(2)34)20-13-27-30-24(20)25(23(14)26)29-17-5-7-18(8-6-17)32(3)4/h9-13,17-18,29H,5-8H2,1-4H3,(H,27,30)(H,28,31,34)
• InChIKey: YEYZZEPMGFECSA-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 90.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.56
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[7-[[4-(dimethylamino)cyclohexyl]amino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]acetamide?

The IUPAC name of N-[5-[7-[[4-(dimethylamino)cyclohexyl]amino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]acetamide (CID 167002564) is N-[5-[7-[[4-(dimethylamino)cyclohexyl]amino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]acetamide.

What is the SMILES notation for N-[5-[7-[[4-(dimethylamino)cyclohexyl]amino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]acetamide?

The canonical SMILES for N-[5-[7-[[4-(dimethylamino)cyclohexyl]amino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]acetamide is CC(=O)Nc1cc2cc(-c3c(C)c(F)c(NC4CCC(N(C)C)CC4)c4[nH]ncc34)ccn2n1.

What is the InChIKey of N-[5-[7-[[4-(dimethylamino)cyclohexyl]amino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]acetamide?

The InChIKey is YEYZZEPMGFECSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN7O/c1-14-22(16-9-10-33-19(11-16)12-21(31-33)28-15(2)34)20-13-27-30-24(20)25(23(14)26)29-17-5-7-18(8-6-17)32(3)4/h9-13,17-18,29H,5-8H2,1-4H3,(H,27,30)(H,28,31,34).

What are the key properties of N-[5-[7-[[4-(dimethylamino)cyclohexyl]amino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]acetamide?

N-[5-[7-[[4-(dimethylamino)cyclohexyl]amino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]acetamide has a molecular weight of 463.56 g/mol, XLogP of 4.57, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[7-[[4-(dimethylamino)cyclohexyl]amino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 167002564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).