UQDOBHGOLQOJMJ-XMSQKQJNSA-N

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

C₂₇H₂₉F₃N₄O₃ — CID 142504326

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

IUPAC(2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-methyl-1H-pyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide

SMILESCOc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]c(C)cc4n3)CCC(F)(F)CC2)cc1

InChIInChI=1S/C27H29F3N4O3/c1-16-13-21-20(31-16)7-8-23(32-21)33-24(35)22-14-18(28)15-34(22)25(36)26(9-11-27(29,30)12-10-26)17-3-5-19(37-2)6-4-17/h3-8,13,18,22,31H,9-12,14-15H2,1-2H3,(H,32,33,35)/t18-,22-/m1/s1

InChIKeyUQDOBHGOLQOJMJ-XMSQKQJNSA-N

MW514.55 g/mol

LogP4.90

Rot. Bonds5

About UQDOBHGOLQOJMJ-XMSQKQJNSA-N

UQDOBHGOLQOJMJ-XMSQKQJNSA-N (PubChem CID 142504326) has the molecular formula C₂₇H₂₉F₃N₄O₃ and a molecular weight of 514.55 g/mol. Its IUPAC name is (2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-methyl-1H-pyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name	UQDOBHGOLQOJMJ-XMSQKQJNSA-N
PubChem CID	142504326
Molecular Formula	C₂₇H₂₉F₃N₄O₃
Molecular Weight	514.55 g/mol
Exact Mass	514.22
IUPAC Name	(2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-methyl-1H-pyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide
SMILES	COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]c(C)cc4n3)CCC(F)(F)CC2)cc1
InChI	InChI=1S/C27H29F3N4O3/c1-16-13-21-20(31-16)7-8-23(32-21)33-24(35)22-14-18(28)15-34(22)25(36)26(9-11-27(29,30)12-10-26)17-3-5-19(37-2)6-4-17/h3-8,13,18,22,31H,9-12,14-15H2,1-2H3,(H,32,33,35)/t18-,22-/m1/s1
InChIKey	UQDOBHGOLQOJMJ-XMSQKQJNSA-N
XLogP	4.90
TPSA	87.32 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.55
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of UQDOBHGOLQOJMJ-XMSQKQJNSA-N?

The IUPAC name of UQDOBHGOLQOJMJ-XMSQKQJNSA-N (CID 142504326) is (2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-methyl-1H-pyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide.

What is the SMILES notation for UQDOBHGOLQOJMJ-XMSQKQJNSA-N?

The canonical SMILES for UQDOBHGOLQOJMJ-XMSQKQJNSA-N is COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]c(C)cc4n3)CCC(F)(F)CC2)cc1.

What is the InChIKey of UQDOBHGOLQOJMJ-XMSQKQJNSA-N?

The InChIKey is UQDOBHGOLQOJMJ-XMSQKQJNSA-N. The full InChI is InChI=1S/C27H29F3N4O3/c1-16-13-21-20(31-16)7-8-23(32-21)33-24(35)22-14-18(28)15-34(22)25(36)26(9-11-27(29,30)12-10-26)17-3-5-19(37-2)6-4-17/h3-8,13,18,22,31H,9-12,14-15H2,1-2H3,(H,32,33,35)/t18-,22-/m1/s1.

What are the key properties of UQDOBHGOLQOJMJ-XMSQKQJNSA-N?

UQDOBHGOLQOJMJ-XMSQKQJNSA-N has a molecular weight of 514.55 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for UQDOBHGOLQOJMJ-XMSQKQJNSA-N is sourced from PubChem (CID 142504326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 142504326 — identifiers, structure, computed properties (public domain)

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