VPTFMQJLKRFDJN-UHFFFAOYSA-N

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

C₂₃H₁₆F₆N₆OS — CID 155738774

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

IUPAC2-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-7-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine

SMILESCCSc1nn2c(-c3ccc(OC(F)(F)F)cc3)ccnc2c1-c1nc2cc(C(F)(F)F)ncc2n1C

InChIInChI=1S/C23H16F6N6OS/c1-3-37-21-18(20-32-14-10-17(22(24,25)26)31-11-16(14)34(20)2)19-30-9-8-15(35(19)33-21)12-4-6-13(7-5-12)36-23(27,28)29/h4-11H,3H2,1-2H3

InChIKeyVPTFMQJLKRFDJN-UHFFFAOYSA-N

MW538.48 g/mol

LogP6.37

Rot. Bonds5

About VPTFMQJLKRFDJN-UHFFFAOYSA-N

VPTFMQJLKRFDJN-UHFFFAOYSA-N (PubChem CID 155738774) has the molecular formula C₂₃H₁₆F₆N₆OS and a molecular weight of 538.48 g/mol. Its IUPAC name is 2-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-7-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name	VPTFMQJLKRFDJN-UHFFFAOYSA-N
PubChem CID	155738774
Molecular Formula	C₂₃H₁₆F₆N₆OS
Molecular Weight	538.48 g/mol
Exact Mass	538.10
IUPAC Name	2-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-7-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
SMILES	CCSc1nn2c(-c3ccc(OC(F)(F)F)cc3)ccnc2c1-c1nc2cc(C(F)(F)F)ncc2n1C
InChI	InChI=1S/C23H16F6N6OS/c1-3-37-21-18(20-32-14-10-17(22(24,25)26)31-11-16(14)34(20)2)19-30-9-8-15(35(19)33-21)12-4-6-13(7-5-12)36-23(27,28)29/h4-11H,3H2,1-2H3
InChIKey	VPTFMQJLKRFDJN-UHFFFAOYSA-N
XLogP	6.37
TPSA	70.13 Å²
H-Bond Donors
H-Bond Acceptors	8
Rotatable Bonds	5
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.48
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of VPTFMQJLKRFDJN-UHFFFAOYSA-N (CID 155738774) is 2-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-7-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine.

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

The canonical SMILES for VPTFMQJLKRFDJN-UHFFFAOYSA-N is CCSc1nn2c(-c3ccc(OC(F)(F)F)cc3)ccnc2c1-c1nc2cc(C(F)(F)F)ncc2n1C.

What is the InChIKey of VPTFMQJLKRFDJN-UHFFFAOYSA-N?

The InChIKey is VPTFMQJLKRFDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F6N6OS/c1-3-37-21-18(20-32-14-10-17(22(24,25)26)31-11-16(14)34(20)2)19-30-9-8-15(35(19)33-21)12-4-6-13(7-5-12)36-23(27,28)29/h4-11H,3H2,1-2H3.

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

VPTFMQJLKRFDJN-UHFFFAOYSA-N has a molecular weight of 538.48 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for VPTFMQJLKRFDJN-UHFFFAOYSA-N is sourced from PubChem (CID 155738774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155738774 — identifiers, structure, computed properties (public domain)

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