tert-butyl 3-[[6-[6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrazin-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate

C22H27F2N7O3 — CID 76753543

IUPACtert-butyl 3-[[6-[6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrazin-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Nc2cncc(-c3cnn4cc(OCC(F)F)ncc34)n2)C1
InChIInChI=1S/C22H27F2N7O3/c1-22(2,3)34-21(32)30-6-4-5-14(11-30)28-19-10-25-8-16(29-19)15-7-27-31-12-20(26-9-17(15)31)33-13-18(23)24/h7-10,12,14,18H,4-6,11,13H2,1-3H3,(H,28,29)
InChIKeyNWPJMXSBXVEFMR-UHFFFAOYSA-N
MW475.50 g/mol
LogP3.64
Rot. Bonds6

About tert-butyl 3-[[6-[6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrazin-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate

tert-butyl 3-[[6-[6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrazin-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate (PubChem CID 76753543) has the molecular formula C22H27F2N7O3 and a molecular weight of 475.50 g/mol. Its IUPAC name is tert-butyl 3-[[6-[6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrazin-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[6-[6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrazin-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate
PubChem CID76753543
Molecular FormulaC22H27F2N7O3
Molecular Weight475.50 g/mol
Exact Mass475.21
IUPAC Nametert-butyl 3-[[6-[6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrazin-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Nc2cncc(-c3cnn4cc(OCC(F)F)ncc34)n2)C1
InChIInChI=1S/C22H27F2N7O3/c1-22(2,3)34-21(32)30-6-4-5-14(11-30)28-19-10-25-8-16(29-19)15-7-27-31-12-20(26-9-17(15)31)33-13-18(23)24/h7-10,12,14,18H,4-6,11,13H2,1-3H3,(H,28,29)
InChIKeyNWPJMXSBXVEFMR-UHFFFAOYSA-N
XLogP3.64
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl 3-[[6-[6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrazin-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
CID 58303375
tert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 58303458
tert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 58303617
tert-butyl (3S)-3-[(3-amino-6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 52933663
tert-butyl 3-[[5-(hydroxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 150009330
tert-butyl (3R)-3-[[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 67960038
tert-butyl 3-[[6-bromo-5-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 166885100
tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate
CID 159447658
tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate
CID 67958593
tert-butyl (3R)-3-[[6-(2,6-dimethyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 140877060
4-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-(propan-2-ylamino)pyrimidine-5-carboxylic acid
CID 171482996
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-(propan-2-ylamino)pyrimidine-5-carboxylic acid
CID 175562061

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[6-[6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrazin-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[6-[6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrazin-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate (CID 76753543) is tert-butyl 3-[[6-[6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrazin-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[6-[6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrazin-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[6-[6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrazin-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(Nc2cncc(-c3cnn4cc(OCC(F)F)ncc34)n2)C1.
What is the InChIKey of tert-butyl 3-[[6-[6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrazin-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is NWPJMXSBXVEFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N7O3/c1-22(2,3)34-21(32)30-6-4-5-14(11-30)28-19-10-25-8-16(29-19)15-7-27-31-12-20(26-9-17(15)31)33-13-18(23)24/h7-10,12,14,18H,4-6,11,13H2,1-3H3,(H,28,29).
What are the key properties of tert-butyl 3-[[6-[6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrazin-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate?
tert-butyl 3-[[6-[6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrazin-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 475.50 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[6-[6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrazin-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 76753543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).