N-[2-(3-hydroxy-3-methylbutyl)-7-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methane

C47H59F3N10O6 — CID 164964320

About N-[2-(3-hydroxy-3-methylbutyl)-7-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methane

N-[2-(3-hydroxy-3-methylbutyl)-7-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methane (PubChem CID 164964320) has the molecular formula C47H59F3N10O6 and a molecular weight of 917.05 g/mol. Its IUPAC name is N-[2-(3-hydroxy-3-methylbutyl)-7-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methane.

Molecular Properties

• Compound Name: N-[2-(3-hydroxy-3-methylbutyl)-7-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methane
• PubChem CID: 164964320
• Molecular Formula: C47H59F3N10O6
• Molecular Weight: 917.05 g/mol
• Exact Mass: 916.46
• IUPAC Name: N-[2-(3-hydroxy-3-methylbutyl)-7-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methane
• SMILES: C.CC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(N3CC[C@H](O)C3)cc2n1.Cc1cccc(C(=O)Nc2cn3cc(CCC(C)(C)O)nc3cc2N2CC[C@@H](O)C2)n1
• InChI: InChI=1S/C23H26F3N5O3.C23H29N5O3.CH4/c1-22(2,34)8-6-14-11-31-13-17(18(10-20(31)27-14)30-9-7-15(32)12-30)29-21(33)16-4-3-5-19(28-16)23(24,25)26;1-15-5-4-6-18(24-15)22(30)26-19-14-28-12-16(7-9-23(2,3)31)25-21(28)11-20(19)27-10-8-17(29)13-27;/h3-5,10-11,13,15,32,34H,6-9,12H2,1-2H3,(H,29,33);4-6,11-12,14,17,29,31H,7-10,13H2,1-3H3,(H,26,30);1H4/t15-;17-;/m01./s1
• InChIKey: CGROJQXUDRVWOV-QLWWMFDRSA-N
• XLogP: 6.48
• TPSA: 205.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	917.05
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxy-3-methylbutyl)-7-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methane?

The IUPAC name of N-[2-(3-hydroxy-3-methylbutyl)-7-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methane (CID 164964320) is N-[2-(3-hydroxy-3-methylbutyl)-7-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methane.

What is the SMILES notation for N-[2-(3-hydroxy-3-methylbutyl)-7-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methane?

The canonical SMILES for N-[2-(3-hydroxy-3-methylbutyl)-7-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methane is C.CC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(N3CC[C@H](O)C3)cc2n1.Cc1cccc(C(=O)Nc2cn3cc(CCC(C)(C)O)nc3cc2N2CC[C@@H](O)C2)n1.

What is the InChIKey of N-[2-(3-hydroxy-3-methylbutyl)-7-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methane?

The InChIKey is CGROJQXUDRVWOV-QLWWMFDRSA-N. The full InChI is InChI=1S/C23H26F3N5O3.C23H29N5O3.CH4/c1-22(2,34)8-6-14-11-31-13-17(18(10-20(31)27-14)30-9-7-15(32)12-30)29-21(33)16-4-3-5-19(28-16)23(24,25)26;1-15-5-4-6-18(24-15)22(30)26-19-14-28-12-16(7-9-23(2,3)31)25-21(28)11-20(19)27-10-8-17(29)13-27;/h3-5,10-11,13,15,32,34H,6-9,12H2,1-2H3,(H,29,33);4-6,11-12,14,17,29,31H,7-10,13H2,1-3H3,(H,26,30);1H4/t15-;17-;/m01./s1.

What are the key properties of N-[2-(3-hydroxy-3-methylbutyl)-7-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methane?

N-[2-(3-hydroxy-3-methylbutyl)-7-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methane has a molecular weight of 917.05 g/mol, XLogP of 6.48, 12 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-hydroxy-3-methylbutyl)-7-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-[(3S)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methane is sourced from PubChem (CID 164964320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).