SOSGLSYLDKRCKC-UHFFFAOYSA-N

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

C₂₇H₂₆F₄N₈O — CID 118413884

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

IUPAC4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine

SMILESCc1[nH]c(C2(C)CCN(c3ncnc4[nH]c(-c5cnn(C(F)F)c5)cc34)CC2)nc1-c1cccc(OC(F)F)c1

InChIInChI=1S/C27H26F4N8O/c1-15-21(16-4-3-5-18(10-16)40-26(30)31)37-24(35-15)27(2)6-8-38(9-7-27)23-19-11-20(36-22(19)32-14-33-23)17-12-34-39(13-17)25(28)29/h3-5,10-14,25-26H,6-9H2,1-2H3,(H,35,37)(H,32,33,36)

InChIKeySOSGLSYLDKRCKC-UHFFFAOYSA-N

MW554.55 g/mol

LogP6.07

Rot. Bonds7

About SOSGLSYLDKRCKC-UHFFFAOYSA-N

SOSGLSYLDKRCKC-UHFFFAOYSA-N (PubChem CID 118413884) has the molecular formula C₂₇H₂₆F₄N₈O and a molecular weight of 554.55 g/mol. Its IUPAC name is 4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name	SOSGLSYLDKRCKC-UHFFFAOYSA-N
PubChem CID	118413884
Molecular Formula	C₂₇H₂₆F₄N₈O
Molecular Weight	554.55 g/mol
Exact Mass	554.22
IUPAC Name	4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILES	Cc1[nH]c(C2(C)CCN(c3ncnc4[nH]c(-c5cnn(C(F)F)c5)cc34)CC2)nc1-c1cccc(OC(F)F)c1
InChI	InChI=1S/C27H26F4N8O/c1-15-21(16-4-3-5-18(10-16)40-26(30)31)37-24(35-15)27(2)6-8-38(9-7-27)23-19-11-20(36-22(19)32-14-33-23)17-12-34-39(13-17)25(28)29/h3-5,10-14,25-26H,6-9H2,1-2H3,(H,35,37)(H,32,33,36)
InChIKey	SOSGLSYLDKRCKC-UHFFFAOYSA-N
XLogP	6.07
TPSA	100.54 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.55
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of SOSGLSYLDKRCKC-UHFFFAOYSA-N (CID 118413884) is 4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine.

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

The canonical SMILES for SOSGLSYLDKRCKC-UHFFFAOYSA-N is Cc1[nH]c(C2(C)CCN(c3ncnc4[nH]c(-c5cnn(C(F)F)c5)cc34)CC2)nc1-c1cccc(OC(F)F)c1.

What is the InChIKey of SOSGLSYLDKRCKC-UHFFFAOYSA-N?

The InChIKey is SOSGLSYLDKRCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F4N8O/c1-15-21(16-4-3-5-18(10-16)40-26(30)31)37-24(35-15)27(2)6-8-38(9-7-27)23-19-11-20(36-22(19)32-14-33-23)17-12-34-39(13-17)25(28)29/h3-5,10-14,25-26H,6-9H2,1-2H3,(H,35,37)(H,32,33,36).

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

SOSGLSYLDKRCKC-UHFFFAOYSA-N has a molecular weight of 554.55 g/mol, XLogP of 6.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for SOSGLSYLDKRCKC-UHFFFAOYSA-N is sourced from PubChem (CID 118413884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118413884 — identifiers, structure, computed properties (public domain)

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