tert-butyl N-(2-fluoroethyl)-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]carbamate

C21H27FN6O3 — CID 163301336

IUPACtert-butyl N-(2-fluoroethyl)-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]carbamate
SMILESCn1cc(-c2cn3nccc3c(OC3CC(N(CCF)C(=O)OC(C)(C)C)C3)n2)cn1
InChIInChI=1S/C21H27FN6O3/c1-21(2,3)31-20(29)27(8-6-22)15-9-16(10-15)30-19-18-5-7-23-28(18)13-17(25-19)14-11-24-26(4)12-14/h5,7,11-13,15-16H,6,8-10H2,1-4H3
InChIKeyAKOVZLNVYATPDG-UHFFFAOYSA-N
MW430.48 g/mol
LogP3.25
Rot. Bonds6

About tert-butyl N-(2-fluoroethyl)-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]carbamate

tert-butyl N-(2-fluoroethyl)-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]carbamate (PubChem CID 163301336) has the molecular formula C21H27FN6O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is tert-butyl N-(2-fluoroethyl)-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoroethyl)-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]carbamate
PubChem CID163301336
Molecular FormulaC21H27FN6O3
Molecular Weight430.48 g/mol
Exact Mass430.21
IUPAC Nametert-butyl N-(2-fluoroethyl)-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]carbamate
SMILESCn1cc(-c2cn3nccc3c(OC3CC(N(CCF)C(=O)OC(C)(C)C)C3)n2)cn1
InChIInChI=1S/C21H27FN6O3/c1-21(2,3)31-20(29)27(8-6-22)15-9-16(10-15)30-19-18-5-7-23-28(18)13-17(25-19)14-11-24-26(4)12-14/h5,7,11-13,15-16H,6,8-10H2,1-4H3
InChIKeyAKOVZLNVYATPDG-UHFFFAOYSA-N
XLogP3.25
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-fluoroethyl)-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]carbamate?
The IUPAC name of tert-butyl N-(2-fluoroethyl)-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]carbamate (CID 163301336) is tert-butyl N-(2-fluoroethyl)-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-fluoroethyl)-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-(2-fluoroethyl)-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]carbamate is Cn1cc(-c2cn3nccc3c(OC3CC(N(CCF)C(=O)OC(C)(C)C)C3)n2)cn1.
What is the InChIKey of tert-butyl N-(2-fluoroethyl)-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]carbamate?
The InChIKey is AKOVZLNVYATPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN6O3/c1-21(2,3)31-20(29)27(8-6-22)15-9-16(10-15)30-19-18-5-7-23-28(18)13-17(25-19)14-11-24-26(4)12-14/h5,7,11-13,15-16H,6,8-10H2,1-4H3.
What are the key properties of tert-butyl N-(2-fluoroethyl)-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]carbamate?
tert-butyl N-(2-fluoroethyl)-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]carbamate has a molecular weight of 430.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-fluoroethyl)-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]carbamate is sourced from PubChem (CID 163301336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).