5-[1-[3-(2-fluoroethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine

C18H19FN8O2S — CID 90336483

IUPAC5-[1-[3-(2-fluoroethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine
SMILESCS(=O)(=O)N1CC(CCF)(n2cc(-c3nc(-c4cn[nH]c4)cc4nccn34)cn2)C1
InChIInChI=1S/C18H19FN8O2S/c1-30(28,29)25-11-18(12-25,2-3-19)27-10-14(9-23-27)17-24-15(13-7-21-22-8-13)6-16-20-4-5-26(16)17/h4-10H,2-3,11-12H2,1H3,(H,21,22)
InChIKeyHSLPMYSMYYSQLK-UHFFFAOYSA-N
MW430.47 g/mol
LogP1.31
Rot. Bonds6

About 5-[1-[3-(2-fluoroethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine

5-[1-[3-(2-fluoroethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine (PubChem CID 90336483) has the molecular formula C18H19FN8O2S and a molecular weight of 430.47 g/mol. Its IUPAC name is 5-[1-[3-(2-fluoroethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name5-[1-[3-(2-fluoroethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine
PubChem CID90336483
Molecular FormulaC18H19FN8O2S
Molecular Weight430.47 g/mol
Exact Mass430.13
IUPAC Name5-[1-[3-(2-fluoroethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine
SMILESCS(=O)(=O)N1CC(CCF)(n2cc(-c3nc(-c4cn[nH]c4)cc4nccn34)cn2)C1
InChIInChI=1S/C18H19FN8O2S/c1-30(28,29)25-11-18(12-25,2-3-19)27-10-14(9-23-27)17-24-15(13-7-21-22-8-13)6-16-20-4-5-26(16)17/h4-10H,2-3,11-12H2,1H3,(H,21,22)
InChIKeyHSLPMYSMYYSQLK-UHFFFAOYSA-N
XLogP1.31
TPSA114.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(2-fluoroethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 5-[1-[3-(2-fluoroethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine (CID 90336483) is 5-[1-[3-(2-fluoroethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 5-[1-[3-(2-fluoroethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 5-[1-[3-(2-fluoroethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine is CS(=O)(=O)N1CC(CCF)(n2cc(-c3nc(-c4cn[nH]c4)cc4nccn34)cn2)C1.
What is the InChIKey of 5-[1-[3-(2-fluoroethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine?
The InChIKey is HSLPMYSMYYSQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN8O2S/c1-30(28,29)25-11-18(12-25,2-3-19)27-10-14(9-23-27)17-24-15(13-7-21-22-8-13)6-16-20-4-5-26(16)17/h4-10H,2-3,11-12H2,1H3,(H,21,22).
What are the key properties of 5-[1-[3-(2-fluoroethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine?
5-[1-[3-(2-fluoroethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine has a molecular weight of 430.47 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(2-fluoroethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 90336483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).