cyclopentane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine;sulfanyl N-(1-bicyclo[1.1.1]pentanyl)carbamate

C21H26F3N7O2S — CID 169142696

IUPACcyclopentane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine;sulfanyl N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESC1CCCC1.FC(F)(F)c1cc2nccn2c(Nc2ccn[nH]2)n1.O=C(NC12CC(C1)C2)OS
InChIInChI=1S/C10H7F3N6.C6H9NO2S.C5H10/c11-10(12,13)6-5-8-14-3-4-19(8)9(16-6)17-7-1-2-15-18-7;8-5(9-10)7-6-1-4(2-6)3-6;1-2-4-5-3-1/h1-5H,(H2,15,16,17,18);4,10H,1-3H2,(H,7,8);1-5H2
InChIKeyQPJDMUVJVARJFJ-UHFFFAOYSA-N
MW497.55 g/mol
LogP5.28
Rot. Bonds3

About cyclopentane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine;sulfanyl N-(1-bicyclo[1.1.1]pentanyl)carbamate

cyclopentane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine;sulfanyl N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169142696) has the molecular formula C21H26F3N7O2S and a molecular weight of 497.55 g/mol. Its IUPAC name is cyclopentane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine;sulfanyl N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

Compound Namecyclopentane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine;sulfanyl N-(1-bicyclo[1.1.1]pentanyl)carbamate
PubChem CID169142696
Molecular FormulaC21H26F3N7O2S
Molecular Weight497.55 g/mol
Exact Mass497.18
IUPAC Namecyclopentane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine;sulfanyl N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESC1CCCC1.FC(F)(F)c1cc2nccn2c(Nc2ccn[nH]2)n1.O=C(NC12CC(C1)C2)OS
InChIInChI=1S/C10H7F3N6.C6H9NO2S.C5H10/c11-10(12,13)6-5-8-14-3-4-19(8)9(16-6)17-7-1-2-15-18-7;8-5(9-10)7-6-1-4(2-6)3-6;1-2-4-5-3-1/h1-5H,(H2,15,16,17,18);4,10H,1-3H2,(H,7,8);1-5H2
InChIKeyQPJDMUVJVARJFJ-UHFFFAOYSA-N
XLogP5.28
TPSA109.23 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.55
LogP ≤ 55.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine;sulfanyl N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The IUPAC name of cyclopentane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine;sulfanyl N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169142696) is cyclopentane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine;sulfanyl N-(1-bicyclo[1.1.1]pentanyl)carbamate.
What is the SMILES notation for cyclopentane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine;sulfanyl N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The canonical SMILES for cyclopentane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine;sulfanyl N-(1-bicyclo[1.1.1]pentanyl)carbamate is C1CCCC1.FC(F)(F)c1cc2nccn2c(Nc2ccn[nH]2)n1.O=C(NC12CC(C1)C2)OS.
What is the InChIKey of cyclopentane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine;sulfanyl N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The InChIKey is QPJDMUVJVARJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N6.C6H9NO2S.C5H10/c11-10(12,13)6-5-8-14-3-4-19(8)9(16-6)17-7-1-2-15-18-7;8-5(9-10)7-6-1-4(2-6)3-6;1-2-4-5-3-1/h1-5H,(H2,15,16,17,18);4,10H,1-3H2,(H,7,8);1-5H2.
What are the key properties of cyclopentane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine;sulfanyl N-(1-bicyclo[1.1.1]pentanyl)carbamate?
cyclopentane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine;sulfanyl N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 497.55 g/mol, XLogP of 5.28, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine;sulfanyl N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 169142696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).