VSQBBUDCWNETNS-QGZVFWFLSA-N

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

C₂₁H₁₆F₂N₈S — CID 121395054

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

IUPAC2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-(1H-pyrazol-5-yl)-1,3,4-thiadiazole

SMILESFc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4nnc(-c5ccn[nH]5)s4)c3n2)c1

InChIInChI=1S/C21H16F2N8S/c22-12-3-4-15(23)13(10-12)17-2-1-8-30(17)18-6-9-31-19(26-18)14(11-25-31)20-28-29-21(32-20)16-5-7-24-27-16/h3-7,9-11,17H,1-2,8H2,(H,24,27)/t17-/m1/s1

InChIKeyVSQBBUDCWNETNS-QGZVFWFLSA-N

MW450.48 g/mol

LogP4.26

Rot. Bonds4

About VSQBBUDCWNETNS-QGZVFWFLSA-N

VSQBBUDCWNETNS-QGZVFWFLSA-N (PubChem CID 121395054) has the molecular formula C₂₁H₁₆F₂N₈S and a molecular weight of 450.48 g/mol. Its IUPAC name is 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-(1H-pyrazol-5-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name	VSQBBUDCWNETNS-QGZVFWFLSA-N
PubChem CID	121395054
Molecular Formula	C₂₁H₁₆F₂N₈S
Molecular Weight	450.48 g/mol
Exact Mass	450.12
IUPAC Name	2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-(1H-pyrazol-5-yl)-1,3,4-thiadiazole
SMILES	Fc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4nnc(-c5ccn[nH]5)s4)c3n2)c1
InChI	InChI=1S/C21H16F2N8S/c22-12-3-4-15(23)13(10-12)17-2-1-8-30(17)18-6-9-31-19(26-18)14(11-25-31)20-28-29-21(32-20)16-5-7-24-27-16/h3-7,9-11,17H,1-2,8H2,(H,24,27)/t17-/m1/s1
InChIKey	VSQBBUDCWNETNS-QGZVFWFLSA-N
XLogP	4.26
TPSA	87.89 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	4
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.48
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of VSQBBUDCWNETNS-QGZVFWFLSA-N?

The IUPAC name of VSQBBUDCWNETNS-QGZVFWFLSA-N (CID 121395054) is 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-(1H-pyrazol-5-yl)-1,3,4-thiadiazole.

What is the SMILES notation for VSQBBUDCWNETNS-QGZVFWFLSA-N?

The canonical SMILES for VSQBBUDCWNETNS-QGZVFWFLSA-N is Fc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4nnc(-c5ccn[nH]5)s4)c3n2)c1.

What is the InChIKey of VSQBBUDCWNETNS-QGZVFWFLSA-N?

The InChIKey is VSQBBUDCWNETNS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H16F2N8S/c22-12-3-4-15(23)13(10-12)17-2-1-8-30(17)18-6-9-31-19(26-18)14(11-25-31)20-28-29-21(32-20)16-5-7-24-27-16/h3-7,9-11,17H,1-2,8H2,(H,24,27)/t17-/m1/s1.

What are the key properties of VSQBBUDCWNETNS-QGZVFWFLSA-N?

VSQBBUDCWNETNS-QGZVFWFLSA-N has a molecular weight of 450.48 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for VSQBBUDCWNETNS-QGZVFWFLSA-N is sourced from PubChem (CID 121395054), 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 121395054 — identifiers, structure, computed properties (public domain)

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