RBCHIKGCUSEYOH-FGZHOGPDSA-N

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

C₃₂H₃₇F₃N₆O₃ — CID 146361329

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

IUPAC3-[(2R)-4-[2-(difluoromethyl)-4-fluorobenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide

SMILESCCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(F)cc3C(F)F)C[C@H]2CC)c(C(=O)N[C@@H]2CCN(C)C2)n1

InChIInChI=1S/C32H37F3N6O3/c1-4-22-19-40(32(43)23-9-8-20(33)17-25(23)29(34)35)15-16-41(22)27-11-10-26(24-7-6-13-36-31(24)44-5-2)38-28(27)30(42)37-21-12-14-39(3)18-21/h6-11,13,17,21-22,29H,4-5,12,14-16,18-19H2,1-3H3,(H,37,42)/t21-,22-/m1/s1

InChIKeyRBCHIKGCUSEYOH-FGZHOGPDSA-N

MW610.68 g/mol

LogP4.79

Rot. Bonds9

About RBCHIKGCUSEYOH-FGZHOGPDSA-N

RBCHIKGCUSEYOH-FGZHOGPDSA-N (PubChem CID 146361329) has the molecular formula C₃₂H₃₇F₃N₆O₃ and a molecular weight of 610.68 g/mol. Its IUPAC name is 3-[(2R)-4-[2-(difluoromethyl)-4-fluorobenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name	RBCHIKGCUSEYOH-FGZHOGPDSA-N
PubChem CID	146361329
Molecular Formula	C₃₂H₃₇F₃N₆O₃
Molecular Weight	610.68 g/mol
Exact Mass	610.29
IUPAC Name	3-[(2R)-4-[2-(difluoromethyl)-4-fluorobenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
SMILES	CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(F)cc3C(F)F)C[C@H]2CC)c(C(=O)N[C@@H]2CCN(C)C2)n1
InChI	InChI=1S/C32H37F3N6O3/c1-4-22-19-40(32(43)23-9-8-20(33)17-25(23)29(34)35)15-16-41(22)27-11-10-26(24-7-6-13-36-31(24)44-5-2)38-28(27)30(42)37-21-12-14-39(3)18-21/h6-11,13,17,21-22,29H,4-5,12,14-16,18-19H2,1-3H3,(H,37,42)/t21-,22-/m1/s1
InChIKey	RBCHIKGCUSEYOH-FGZHOGPDSA-N
XLogP	4.79
TPSA	90.90 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	9
Heavy Atoms	44
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.68
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of RBCHIKGCUSEYOH-FGZHOGPDSA-N?

The IUPAC name of RBCHIKGCUSEYOH-FGZHOGPDSA-N (CID 146361329) is 3-[(2R)-4-[2-(difluoromethyl)-4-fluorobenzoyl]-2-ethylpiperazin-1-yl]-6-(2-ethoxy-3-pyridinyl)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide.

What is the SMILES notation for RBCHIKGCUSEYOH-FGZHOGPDSA-N?

The canonical SMILES for RBCHIKGCUSEYOH-FGZHOGPDSA-N is CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(F)cc3C(F)F)C[C@H]2CC)c(C(=O)N[C@@H]2CCN(C)C2)n1.

What is the InChIKey of RBCHIKGCUSEYOH-FGZHOGPDSA-N?

The InChIKey is RBCHIKGCUSEYOH-FGZHOGPDSA-N. The full InChI is InChI=1S/C32H37F3N6O3/c1-4-22-19-40(32(43)23-9-8-20(33)17-25(23)29(34)35)15-16-41(22)27-11-10-26(24-7-6-13-36-31(24)44-5-2)38-28(27)30(42)37-21-12-14-39(3)18-21/h6-11,13,17,21-22,29H,4-5,12,14-16,18-19H2,1-3H3,(H,37,42)/t21-,22-/m1/s1.

What are the key properties of RBCHIKGCUSEYOH-FGZHOGPDSA-N?

RBCHIKGCUSEYOH-FGZHOGPDSA-N has a molecular weight of 610.68 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for RBCHIKGCUSEYOH-FGZHOGPDSA-N is sourced from PubChem (CID 146361329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 146361329 — identifiers, structure, computed properties (public domain)

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