GSSCURHTCHTCBR-JOCHJYFZSA-N

Name: GSSCURHTCHTCBR-JOCHJYFZSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₇H₃₂ClF₂N₅O₃ — CID 56966996

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-(2,2-difluoroethyl)-6-methylpyridine-4-carboxamide

SMILESCc1cc(C(=O)NCC(F)F)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1

InChIInChI=1S/C27H32ClF2N5O3/c1-16-11-18(3-4-21(16)28)15-34-9-7-20(8-10-34)35-22(5-6-25(35)36)27(38)33-24-13-19(12-17(2)32-24)26(37)31-14-23(29)30/h3-4,11-13,20,22-23H,5-10,14-15H2,1-2H3,(H,31,37)(H,32,33,38)/t22-/m1/s1

InChIKeyGSSCURHTCHTCBR-JOCHJYFZSA-N

MW548.03 g/mol

LogP3.94

Rot. Bonds8

About GSSCURHTCHTCBR-JOCHJYFZSA-N

GSSCURHTCHTCBR-JOCHJYFZSA-N (PubChem CID 56966996) has the molecular formula C₂₇H₃₂ClF₂N₅O₃ and a molecular weight of 548.03 g/mol. Its IUPAC name is 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-(2,2-difluoroethyl)-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name	GSSCURHTCHTCBR-JOCHJYFZSA-N
PubChem CID	56966996
Molecular Formula	C₂₇H₃₂ClF₂N₅O₃
Molecular Weight	548.03 g/mol
Exact Mass	547.22
IUPAC Name	2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-(2,2-difluoroethyl)-6-methylpyridine-4-carboxamide
SMILES	Cc1cc(C(=O)NCC(F)F)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1
InChI	InChI=1S/C27H32ClF2N5O3/c1-16-11-18(3-4-21(16)28)15-34-9-7-20(8-10-34)35-22(5-6-25(35)36)27(38)33-24-13-19(12-17(2)32-24)26(37)31-14-23(29)30/h3-4,11-13,20,22-23H,5-10,14-15H2,1-2H3,(H,31,37)(H,32,33,38)/t22-/m1/s1
InChIKey	GSSCURHTCHTCBR-JOCHJYFZSA-N
XLogP	3.94
TPSA	94.64 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.03
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of GSSCURHTCHTCBR-JOCHJYFZSA-N?

The IUPAC name of GSSCURHTCHTCBR-JOCHJYFZSA-N (CID 56966996) is 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-(2,2-difluoroethyl)-6-methylpyridine-4-carboxamide.

What is the SMILES notation for GSSCURHTCHTCBR-JOCHJYFZSA-N?

The canonical SMILES for GSSCURHTCHTCBR-JOCHJYFZSA-N is Cc1cc(C(=O)NCC(F)F)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.

What is the InChIKey of GSSCURHTCHTCBR-JOCHJYFZSA-N?

The InChIKey is GSSCURHTCHTCBR-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H32ClF2N5O3/c1-16-11-18(3-4-21(16)28)15-34-9-7-20(8-10-34)35-22(5-6-25(35)36)27(38)33-24-13-19(12-17(2)32-24)26(37)31-14-23(29)30/h3-4,11-13,20,22-23H,5-10,14-15H2,1-2H3,(H,31,37)(H,32,33,38)/t22-/m1/s1.

What are the key properties of GSSCURHTCHTCBR-JOCHJYFZSA-N?

GSSCURHTCHTCBR-JOCHJYFZSA-N has a molecular weight of 548.03 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for GSSCURHTCHTCBR-JOCHJYFZSA-N is sourced from PubChem (CID 56966996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 56966996 — identifiers, structure, computed properties (public domain)

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