ethyl N-(1-methylcyclopropyl)carbamate;3-fluorooxolane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine

C21H27F4N7O3 — CID 169141105

IUPACethyl N-(1-methylcyclopropyl)carbamate;3-fluorooxolane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCCOC(=O)NC1(C)CC1.FC(F)(F)c1cc2nccn2c(Nc2ccn[nH]2)n1.FC1CCOC1
InChIInChI=1S/C10H7F3N6.C7H13NO2.C4H7FO/c11-10(12,13)6-5-8-14-3-4-19(8)9(16-6)17-7-1-2-15-18-7;1-3-10-6(9)8-7(2)4-5-7;5-4-1-2-6-3-4/h1-5H,(H2,15,16,17,18);3-5H2,1-2H3,(H,8,9);4H,1-3H2
InChIKeyHRWVCQWCZPZIIH-UHFFFAOYSA-N
MW501.49 g/mol
LogP4.24
Rot. Bonds4

About ethyl N-(1-methylcyclopropyl)carbamate;3-fluorooxolane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine

ethyl N-(1-methylcyclopropyl)carbamate;3-fluorooxolane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 169141105) has the molecular formula C21H27F4N7O3 and a molecular weight of 501.49 g/mol. Its IUPAC name is ethyl N-(1-methylcyclopropyl)carbamate;3-fluorooxolane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Nameethyl N-(1-methylcyclopropyl)carbamate;3-fluorooxolane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID169141105
Molecular FormulaC21H27F4N7O3
Molecular Weight501.49 g/mol
Exact Mass501.21
IUPAC Nameethyl N-(1-methylcyclopropyl)carbamate;3-fluorooxolane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCCOC(=O)NC1(C)CC1.FC(F)(F)c1cc2nccn2c(Nc2ccn[nH]2)n1.FC1CCOC1
InChIInChI=1S/C10H7F3N6.C7H13NO2.C4H7FO/c11-10(12,13)6-5-8-14-3-4-19(8)9(16-6)17-7-1-2-15-18-7;1-3-10-6(9)8-7(2)4-5-7;5-4-1-2-6-3-4/h1-5H,(H2,15,16,17,18);3-5H2,1-2H3,(H,8,9);4H,1-3H2
InChIKeyHRWVCQWCZPZIIH-UHFFFAOYSA-N
XLogP4.24
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.49
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-methylcyclopropyl)carbamate;3-fluorooxolane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of ethyl N-(1-methylcyclopropyl)carbamate;3-fluorooxolane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine (CID 169141105) is ethyl N-(1-methylcyclopropyl)carbamate;3-fluorooxolane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for ethyl N-(1-methylcyclopropyl)carbamate;3-fluorooxolane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for ethyl N-(1-methylcyclopropyl)carbamate;3-fluorooxolane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine is CCOC(=O)NC1(C)CC1.FC(F)(F)c1cc2nccn2c(Nc2ccn[nH]2)n1.FC1CCOC1.
What is the InChIKey of ethyl N-(1-methylcyclopropyl)carbamate;3-fluorooxolane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is HRWVCQWCZPZIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N6.C7H13NO2.C4H7FO/c11-10(12,13)6-5-8-14-3-4-19(8)9(16-6)17-7-1-2-15-18-7;1-3-10-6(9)8-7(2)4-5-7;5-4-1-2-6-3-4/h1-5H,(H2,15,16,17,18);3-5H2,1-2H3,(H,8,9);4H,1-3H2.
What are the key properties of ethyl N-(1-methylcyclopropyl)carbamate;3-fluorooxolane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine?
ethyl N-(1-methylcyclopropyl)carbamate;3-fluorooxolane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 501.49 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-methylcyclopropyl)carbamate;3-fluorooxolane;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 169141105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).