3-[(1R,3S)-1-[2,6-difluoro-4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]bicyclo[1.1.1]pentane-1-carboxamide

C32H36F3N3O2 — CID 167542546

About 3-[(1R,3S)-1-[2,6-difluoro-4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]bicyclo[1.1.1]pentane-1-carboxamide

3-[(1R,3S)-1-[2,6-difluoro-4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 167542546) has the molecular formula C32H36F3N3O2 and a molecular weight of 551.65 g/mol. Its IUPAC name is 3-[(1R,3S)-1-[2,6-difluoro-4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[(1R,3S)-1-[2,6-difluoro-4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]bicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 167542546
• Molecular Formula: C32H36F3N3O2
• Molecular Weight: 551.65 g/mol
• Exact Mass: 551.28
• IUPAC Name: 3-[(1R,3S)-1-[2,6-difluoro-4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]bicyclo[1.1.1]pentane-1-carboxamide
• SMILES: C[C@H]1CC2=C(Cc3ccccc32)[C@H](c2c(F)cc(OC3CCN(CCCF)C3)cc2F)N1C12CC(C(N)=O)(C1)C2
• InChI: InChI=1S/C32H36F3N3O2/c1-19-11-24-23-6-3-2-5-20(23)12-25(24)29(38(19)32-16-31(17-32,18-32)30(36)39)28-26(34)13-22(14-27(28)35)40-21-7-10-37(15-21)9-4-8-33/h2-3,5-6,13-14,19,21,29H,4,7-12,15-18H2,1H3,(H2,36,39)/t19-,21?,29+,31?,32?/m0/s1
• InChIKey: UWNYEDOQKRLZSB-FLHXUOPUSA-N
• XLogP: 5.33
• TPSA: 58.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.65
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,3S)-1-[2,6-difluoro-4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]bicyclo[1.1.1]pentane-1-carboxamide?

The IUPAC name of 3-[(1R,3S)-1-[2,6-difluoro-4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]bicyclo[1.1.1]pentane-1-carboxamide (CID 167542546) is 3-[(1R,3S)-1-[2,6-difluoro-4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]bicyclo[1.1.1]pentane-1-carboxamide.

What is the SMILES notation for 3-[(1R,3S)-1-[2,6-difluoro-4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]bicyclo[1.1.1]pentane-1-carboxamide?

The canonical SMILES for 3-[(1R,3S)-1-[2,6-difluoro-4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]bicyclo[1.1.1]pentane-1-carboxamide is C[C@H]1CC2=C(Cc3ccccc32)[C@H](c2c(F)cc(OC3CCN(CCCF)C3)cc2F)N1C12CC(C(N)=O)(C1)C2.

What is the InChIKey of 3-[(1R,3S)-1-[2,6-difluoro-4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]bicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is UWNYEDOQKRLZSB-FLHXUOPUSA-N. The full InChI is InChI=1S/C32H36F3N3O2/c1-19-11-24-23-6-3-2-5-20(23)12-25(24)29(38(19)32-16-31(17-32,18-32)30(36)39)28-26(34)13-22(14-27(28)35)40-21-7-10-37(15-21)9-4-8-33/h2-3,5-6,13-14,19,21,29H,4,7-12,15-18H2,1H3,(H2,36,39)/t19-,21?,29+,31?,32?/m0/s1.

What are the key properties of 3-[(1R,3S)-1-[2,6-difluoro-4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]bicyclo[1.1.1]pentane-1-carboxamide?

3-[(1R,3S)-1-[2,6-difluoro-4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 551.65 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1R,3S)-1-[2,6-difluoro-4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 167542546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).