1-[2-[(2R,3S,4S,5R)-3-(3-fluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropan-1-amine

C23H24F4N4O2 — CID 177218335

About 1-[2-[(2R,3S,4S,5R)-3-(3-fluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropan-1-amine

1-[2-[(2R,3S,4S,5R)-3-(3-fluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropan-1-amine (PubChem CID 177218335) has the molecular formula C23H24F4N4O2 and a molecular weight of 464.46 g/mol. Its IUPAC name is 1-[2-[(2R,3S,4S,5R)-3-(3-fluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropan-1-amine.

Molecular Properties

• Compound Name: 1-[2-[(2R,3S,4S,5R)-3-(3-fluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropan-1-amine
• PubChem CID: 177218335
• Molecular Formula: C23H24F4N4O2
• Molecular Weight: 464.46 g/mol
• Exact Mass: 464.18
• IUPAC Name: 1-[2-[(2R,3S,4S,5R)-3-(3-fluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropan-1-amine
• SMILES: COc1c(F)cccc1[C@H]1[C@H](c2nc3c(C4(N)CC4)nccc3[nH]2)O[C@@](C)(C(F)(F)F)[C@H]1C
• InChI: InChI=1S/C23H24F4N4O2/c1-11-15(12-5-4-6-13(24)17(12)32-3)18(33-21(11,2)23(25,26)27)20-30-14-7-10-29-19(16(14)31-20)22(28)8-9-22/h4-7,10-11,15,18H,8-9,28H2,1-3H3,(H,30,31)/t11-,15-,18+,21+/m0/s1
• InChIKey: ZFPBKQRJGBXUCS-DOBNQBSTSA-N
• XLogP: 4.87
• TPSA: 86.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.46
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R,3S,4S,5R)-3-(3-fluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropan-1-amine?

The IUPAC name of 1-[2-[(2R,3S,4S,5R)-3-(3-fluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropan-1-amine (CID 177218335) is 1-[2-[(2R,3S,4S,5R)-3-(3-fluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropan-1-amine.

What is the SMILES notation for 1-[2-[(2R,3S,4S,5R)-3-(3-fluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropan-1-amine?

The canonical SMILES for 1-[2-[(2R,3S,4S,5R)-3-(3-fluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropan-1-amine is COc1c(F)cccc1[C@H]1[C@H](c2nc3c(C4(N)CC4)nccc3[nH]2)O[C@@](C)(C(F)(F)F)[C@H]1C.

What is the InChIKey of 1-[2-[(2R,3S,4S,5R)-3-(3-fluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropan-1-amine?

The InChIKey is ZFPBKQRJGBXUCS-DOBNQBSTSA-N. The full InChI is InChI=1S/C23H24F4N4O2/c1-11-15(12-5-4-6-13(24)17(12)32-3)18(33-21(11,2)23(25,26)27)20-30-14-7-10-29-19(16(14)31-20)22(28)8-9-22/h4-7,10-11,15,18H,8-9,28H2,1-3H3,(H,30,31)/t11-,15-,18+,21+/m0/s1.

What are the key properties of 1-[2-[(2R,3S,4S,5R)-3-(3-fluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropan-1-amine?

1-[2-[(2R,3S,4S,5R)-3-(3-fluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropan-1-amine has a molecular weight of 464.46 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(2R,3S,4S,5R)-3-(3-fluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropan-1-amine is sourced from PubChem (CID 177218335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).