[3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate;ethane

C18H22F3N7O2 — CID 168894876

IUPAC[3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate;ethane
SMILESCC.N#Cc1cnc(Nc2cc(C3CCC(OC(=O)NCC(F)(F)F)C3)[nH]n2)cn1
InChIInChI=1S/C16H16F3N7O2.C2H6/c17-16(18,19)8-23-15(27)28-11-2-1-9(3-11)12-4-13(26-25-12)24-14-7-21-10(5-20)6-22-14;1-2/h4,6-7,9,11H,1-3,8H2,(H,23,27)(H2,22,24,25,26);1-2H3
InChIKeyJSKZUWCYXLKMRT-UHFFFAOYSA-N
MW425.42 g/mol
LogP3.77
Rot. Bonds5

About [3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate;ethane

[3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate;ethane (PubChem CID 168894876) has the molecular formula C18H22F3N7O2 and a molecular weight of 425.42 g/mol. Its IUPAC name is [3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate;ethane.

Molecular Properties

Compound Name[3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate;ethane
PubChem CID168894876
Molecular FormulaC18H22F3N7O2
Molecular Weight425.42 g/mol
Exact Mass425.18
IUPAC Name[3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate;ethane
SMILESCC.N#Cc1cnc(Nc2cc(C3CCC(OC(=O)NCC(F)(F)F)C3)[nH]n2)cn1
InChIInChI=1S/C16H16F3N7O2.C2H6/c17-16(18,19)8-23-15(27)28-11-2-1-9(3-11)12-4-13(26-25-12)24-14-7-21-10(5-20)6-22-14;1-2/h4,6-7,9,11H,1-3,8H2,(H,23,27)(H2,22,24,25,26);1-2H3
InChIKeyJSKZUWCYXLKMRT-UHFFFAOYSA-N
XLogP3.77
TPSA128.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[(1R,3S)-3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate
CID 168894960
[(1R,3S)-3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] (3R,4S)-3,4-difluoropyrrolidine-1-carboxylate
CID 177068084
[3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;N-methylpropan-1-amine
CID 168895028
[3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;1-cyclopropyl-N-methylethanamine
CID 168894882
[(1R,3S)-3-[3-[[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate
CID 168895210
[3-[3-[(5-ethylpyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate
CID 168894858
[(1S,3R)-3-[3-[(5-dimethylphosphoryl-2-pyridinyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076434
[3-[3-[[2-(3-fluoro-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
CID 155025584
[(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2R)-4,4,4-trifluorobutan-2-yl]carbamate
CID 154616540
[(1R,3S)-3-[3-[(1,1-difluoro-2,3-dihydroinden-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170623280
[(1R,3S)-3-[3-[(3-methoxy-1,2,4-triazin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 168895247
[(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 168895214

Frequently Asked Questions

What is the IUPAC name of [3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate;ethane?
The IUPAC name of [3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate;ethane (CID 168894876) is [3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate;ethane.
What is the SMILES notation for [3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate;ethane?
The canonical SMILES for [3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate;ethane is CC.N#Cc1cnc(Nc2cc(C3CCC(OC(=O)NCC(F)(F)F)C3)[nH]n2)cn1.
What is the InChIKey of [3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate;ethane?
The InChIKey is JSKZUWCYXLKMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7O2.C2H6/c17-16(18,19)8-23-15(27)28-11-2-1-9(3-11)12-4-13(26-25-12)24-14-7-21-10(5-20)6-22-14;1-2/h4,6-7,9,11H,1-3,8H2,(H,23,27)(H2,22,24,25,26);1-2H3.
What are the key properties of [3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate;ethane?
[3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate;ethane has a molecular weight of 425.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate;ethane is sourced from PubChem (CID 168894876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).