(3R)-N-[(1S)-1-[2-(difluoromethoxy)-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]ethyl]-3-hydroxy-1,1-dimethyl-2,3-dihydroindene-5-carboxamide

C27H34F2N2O4 — CID 169081797

IUPAC(3R)-N-[(1S)-1-[2-(difluoromethoxy)-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]ethyl]-3-hydroxy-1,1-dimethyl-2,3-dihydroindene-5-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)[C@H](O)CC2(C)C)c1ccc(OC[C@H]2CCCN2C)cc1OC(F)F
InChIInChI=1S/C27H34F2N2O4/c1-16(30-25(33)17-7-10-22-21(12-17)23(32)14-27(22,2)3)20-9-8-19(13-24(20)35-26(28)29)34-15-18-6-5-11-31(18)4/h7-10,12-13,16,18,23,26,32H,5-6,11,14-15H2,1-4H3,(H,30,33)/t16-,18+,23+/m0/s1
InChIKeyZQZBPELLMCCVJZ-PRCFCKQXSA-N
MW488.58 g/mol
LogP4.97
Rot. Bonds8

About (3R)-N-[(1S)-1-[2-(difluoromethoxy)-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]ethyl]-3-hydroxy-1,1-dimethyl-2,3-dihydroindene-5-carboxamide

(3R)-N-[(1S)-1-[2-(difluoromethoxy)-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]ethyl]-3-hydroxy-1,1-dimethyl-2,3-dihydroindene-5-carboxamide (PubChem CID 169081797) has the molecular formula C27H34F2N2O4 and a molecular weight of 488.58 g/mol. Its IUPAC name is (3R)-N-[(1S)-1-[2-(difluoromethoxy)-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]ethyl]-3-hydroxy-1,1-dimethyl-2,3-dihydroindene-5-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1S)-1-[2-(difluoromethoxy)-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]ethyl]-3-hydroxy-1,1-dimethyl-2,3-dihydroindene-5-carboxamide
PubChem CID169081797
Molecular FormulaC27H34F2N2O4
Molecular Weight488.58 g/mol
Exact Mass488.25
IUPAC Name(3R)-N-[(1S)-1-[2-(difluoromethoxy)-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]ethyl]-3-hydroxy-1,1-dimethyl-2,3-dihydroindene-5-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)[C@H](O)CC2(C)C)c1ccc(OC[C@H]2CCCN2C)cc1OC(F)F
InChIInChI=1S/C27H34F2N2O4/c1-16(30-25(33)17-7-10-22-21(12-17)23(32)14-27(22,2)3)20-9-8-19(13-24(20)35-26(28)29)34-15-18-6-5-11-31(18)4/h7-10,12-13,16,18,23,26,32H,5-6,11,14-15H2,1-4H3,(H,30,33)/t16-,18+,23+/m0/s1
InChIKeyZQZBPELLMCCVJZ-PRCFCKQXSA-N
XLogP4.97
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.58
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(1S)-1-[2-(difluoromethoxy)-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]ethyl]-3-hydroxy-1,1-dimethyl-2,3-dihydroindene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S)-1-[2-(difluoromethoxy)-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]ethyl]-3-hydroxy-1,1-dimethyl-2,3-dihydroindene-5-carboxamide?
The IUPAC name of (3R)-N-[(1S)-1-[2-(difluoromethoxy)-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]ethyl]-3-hydroxy-1,1-dimethyl-2,3-dihydroindene-5-carboxamide (CID 169081797) is (3R)-N-[(1S)-1-[2-(difluoromethoxy)-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]ethyl]-3-hydroxy-1,1-dimethyl-2,3-dihydroindene-5-carboxamide.
What is the SMILES notation for (3R)-N-[(1S)-1-[2-(difluoromethoxy)-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]ethyl]-3-hydroxy-1,1-dimethyl-2,3-dihydroindene-5-carboxamide?
The canonical SMILES for (3R)-N-[(1S)-1-[2-(difluoromethoxy)-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]ethyl]-3-hydroxy-1,1-dimethyl-2,3-dihydroindene-5-carboxamide is C[C@H](NC(=O)c1ccc2c(c1)[C@H](O)CC2(C)C)c1ccc(OC[C@H]2CCCN2C)cc1OC(F)F.
What is the InChIKey of (3R)-N-[(1S)-1-[2-(difluoromethoxy)-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]ethyl]-3-hydroxy-1,1-dimethyl-2,3-dihydroindene-5-carboxamide?
The InChIKey is ZQZBPELLMCCVJZ-PRCFCKQXSA-N. The full InChI is InChI=1S/C27H34F2N2O4/c1-16(30-25(33)17-7-10-22-21(12-17)23(32)14-27(22,2)3)20-9-8-19(13-24(20)35-26(28)29)34-15-18-6-5-11-31(18)4/h7-10,12-13,16,18,23,26,32H,5-6,11,14-15H2,1-4H3,(H,30,33)/t16-,18+,23+/m0/s1.
What are the key properties of (3R)-N-[(1S)-1-[2-(difluoromethoxy)-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]ethyl]-3-hydroxy-1,1-dimethyl-2,3-dihydroindene-5-carboxamide?
(3R)-N-[(1S)-1-[2-(difluoromethoxy)-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]ethyl]-3-hydroxy-1,1-dimethyl-2,3-dihydroindene-5-carboxamide has a molecular weight of 488.58 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S)-1-[2-(difluoromethoxy)-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]ethyl]-3-hydroxy-1,1-dimethyl-2,3-dihydroindene-5-carboxamide is sourced from PubChem (CID 169081797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).