OHGVDJYUICKTBY-UHFFFAOYSA-N

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

C₃₀H₂₅Cl₂F₂N₅O₄ — CID 142613163

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

IUPAC6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

SMILESCOc1cc(OCC(F)F)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1C)C2=O

InChIInChI=1S/C30H25Cl2F2N5O4/c1-14(2)38-26-25(37-27(38)18-12-35-24(11-22(18)42-4)43-13-23(33)34)28(40)39(21-10-17(32)6-5-15(21)3)30(26)19-8-7-16(31)9-20(19)36-29(30)41/h5-12,14,23H,13H2,1-4H3,(H,36,41)

InChIKeyOHGVDJYUICKTBY-UHFFFAOYSA-N

MW628.46 g/mol

LogP6.65

Rot. Bonds7

About OHGVDJYUICKTBY-UHFFFAOYSA-N

OHGVDJYUICKTBY-UHFFFAOYSA-N (PubChem CID 142613163) has the molecular formula C₃₀H₂₅Cl₂F₂N₅O₄ and a molecular weight of 628.46 g/mol. Its IUPAC name is 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

Molecular Properties

Compound Name	OHGVDJYUICKTBY-UHFFFAOYSA-N
PubChem CID	142613163
Molecular Formula	C₃₀H₂₅Cl₂F₂N₅O₄
Molecular Weight	628.46 g/mol
Exact Mass	627.13
IUPAC Name	6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
SMILES	COc1cc(OCC(F)F)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1C)C2=O
InChI	InChI=1S/C30H25Cl2F2N5O4/c1-14(2)38-26-25(37-27(38)18-12-35-24(11-22(18)42-4)43-13-23(33)34)28(40)39(21-10-17(32)6-5-15(21)3)30(26)19-8-7-16(31)9-20(19)36-29(30)41/h5-12,14,23H,13H2,1-4H3,(H,36,41)
InChIKey	OHGVDJYUICKTBY-UHFFFAOYSA-N
XLogP	6.65
TPSA	98.58 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.46
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of OHGVDJYUICKTBY-UHFFFAOYSA-N?

The IUPAC name of OHGVDJYUICKTBY-UHFFFAOYSA-N (CID 142613163) is 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

What is the SMILES notation for OHGVDJYUICKTBY-UHFFFAOYSA-N?

The canonical SMILES for OHGVDJYUICKTBY-UHFFFAOYSA-N is COc1cc(OCC(F)F)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1C)C2=O.

What is the InChIKey of OHGVDJYUICKTBY-UHFFFAOYSA-N?

The InChIKey is OHGVDJYUICKTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25Cl2F2N5O4/c1-14(2)38-26-25(37-27(38)18-12-35-24(11-22(18)42-4)43-13-23(33)34)28(40)39(21-10-17(32)6-5-15(21)3)30(26)19-8-7-16(31)9-20(19)36-29(30)41/h5-12,14,23H,13H2,1-4H3,(H,36,41).

What are the key properties of OHGVDJYUICKTBY-UHFFFAOYSA-N?

OHGVDJYUICKTBY-UHFFFAOYSA-N has a molecular weight of 628.46 g/mol, XLogP of 6.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for OHGVDJYUICKTBY-UHFFFAOYSA-N is sourced from PubChem (CID 142613163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 142613163 — identifiers, structure, computed properties (public domain)

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