1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[(4R,6R)-2-(4-fluoro-3,5-dimethylphenyl)-4-(methoxymethyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one

C30H31F2N7O2 — CID 177288891

About 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[(4R,6R)-2-(4-fluoro-3,5-dimethylphenyl)-4-(methoxymethyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one

1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[(4R,6R)-2-(4-fluoro-3,5-dimethylphenyl)-4-(methoxymethyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one (PubChem CID 177288891) has the molecular formula C30H31F2N7O2 and a molecular weight of 559.62 g/mol. Its IUPAC name is 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[(4R,6R)-2-(4-fluoro-3,5-dimethylphenyl)-4-(methoxymethyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one.

Molecular Properties

• Compound Name: 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[(4R,6R)-2-(4-fluoro-3,5-dimethylphenyl)-4-(methoxymethyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one
• PubChem CID: 177288891
• Molecular Formula: C30H31F2N7O2
• Molecular Weight: 559.62 g/mol
• Exact Mass: 559.25
• IUPAC Name: 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[(4R,6R)-2-(4-fluoro-3,5-dimethylphenyl)-4-(methoxymethyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one
• SMILES: COC[C@@H]1N[C@H](C)Cc2nn(-c3cc(C)c(F)c(C)c3)c(-n3ccn(-c4ccc5c(cnn5C5CC5)c4F)c3=O)c21
• InChI: InChI=1S/C30H31F2N7O2/c1-16-11-20(12-17(2)27(16)31)39-29(26-22(35-39)13-18(3)34-23(26)15-41-4)37-10-9-36(30(37)40)25-8-7-24-21(28(25)32)14-33-38(24)19-5-6-19/h7-12,14,18-19,23,34H,5-6,13,15H2,1-4H3/t18-,23+/m1/s1
• InChIKey: FCJTZLXWWRMBTK-JPYJTQIMSA-N
• XLogP: 4.62
• TPSA: 83.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.62
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[(4R,6R)-2-(4-fluoro-3,5-dimethylphenyl)-4-(methoxymethyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one?

The IUPAC name of 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[(4R,6R)-2-(4-fluoro-3,5-dimethylphenyl)-4-(methoxymethyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one (CID 177288891) is 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[(4R,6R)-2-(4-fluoro-3,5-dimethylphenyl)-4-(methoxymethyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one.

What is the SMILES notation for 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[(4R,6R)-2-(4-fluoro-3,5-dimethylphenyl)-4-(methoxymethyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one?

The canonical SMILES for 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[(4R,6R)-2-(4-fluoro-3,5-dimethylphenyl)-4-(methoxymethyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one is COC[C@@H]1N[C@H](C)Cc2nn(-c3cc(C)c(F)c(C)c3)c(-n3ccn(-c4ccc5c(cnn5C5CC5)c4F)c3=O)c21.

What is the InChIKey of 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[(4R,6R)-2-(4-fluoro-3,5-dimethylphenyl)-4-(methoxymethyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one?

The InChIKey is FCJTZLXWWRMBTK-JPYJTQIMSA-N. The full InChI is InChI=1S/C30H31F2N7O2/c1-16-11-20(12-17(2)27(16)31)39-29(26-22(35-39)13-18(3)34-23(26)15-41-4)37-10-9-36(30(37)40)25-8-7-24-21(28(25)32)14-33-38(24)19-5-6-19/h7-12,14,18-19,23,34H,5-6,13,15H2,1-4H3/t18-,23+/m1/s1.

What are the key properties of 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[(4R,6R)-2-(4-fluoro-3,5-dimethylphenyl)-4-(methoxymethyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one?

1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[(4R,6R)-2-(4-fluoro-3,5-dimethylphenyl)-4-(methoxymethyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one has a molecular weight of 559.62 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[(4R,6R)-2-(4-fluoro-3,5-dimethylphenyl)-4-(methoxymethyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one is sourced from PubChem (CID 177288891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).