[3-[3-[(5-ethylpyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate

C20H28N6O2 — CID 168894858

IUPAC[3-[3-[(5-ethylpyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate
SMILESCCc1cnc(Nc2cc(C3CCC(OC(=O)N4CCC4(C)C)C3)[nH]n2)cn1
InChIInChI=1S/C20H28N6O2/c1-4-14-11-22-18(12-21-14)23-17-10-16(24-25-17)13-5-6-15(9-13)28-19(27)26-8-7-20(26,2)3/h10-13,15H,4-9H2,1-3H3,(H2,22,23,24,25)
InChIKeyLTVPKXTZLSFMSQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.76
Rot. Bonds5

About [3-[3-[(5-ethylpyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate

[3-[3-[(5-ethylpyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate (PubChem CID 168894858) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is [3-[3-[(5-ethylpyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate.

Molecular Properties

Compound Name[3-[3-[(5-ethylpyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate
PubChem CID168894858
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name[3-[3-[(5-ethylpyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate
SMILESCCc1cnc(Nc2cc(C3CCC(OC(=O)N4CCC4(C)C)C3)[nH]n2)cn1
InChIInChI=1S/C20H28N6O2/c1-4-14-11-22-18(12-21-14)23-17-10-16(24-25-17)13-5-6-15(9-13)28-19(27)26-8-7-20(26,2)3/h10-13,15H,4-9H2,1-3H3,(H2,22,23,24,25)
InChIKeyLTVPKXTZLSFMSQ-UHFFFAOYSA-N
XLogP3.76
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(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
[(1R,3S)-3-[3-[[2-(5-ethoxy-2-formyl-3-hydroxyphenoxy)-1-hydroxyethyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate
CID 176998141
[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2-ethyl-2-methylazetidine-1-carboxylate
CID 154616568
[(1R,3S)-3-[3-[[2-(5-methylpyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616562
[(1R,3S)-3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] (3R,4S)-3,4-difluoropyrrolidine-1-carboxylate
CID 177068084
N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-(methoxymethyl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid
CID 168894869
[(1R,3S)-3-[3-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616684
[(1R,3S)-3-[3-[(3-methoxy-1,2,4-triazin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 168895247
[3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(2,2,2-trifluoroethyl)carbamate;ethane
CID 168894876
[3-[3-[[2-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293693
[(1R,3S)-3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate
CID 168894960
[(1R,3S)-3-[3-[(2-ethoxypyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293954

Frequently Asked Questions

What is the IUPAC name of [3-[3-[(5-ethylpyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate?
The IUPAC name of [3-[3-[(5-ethylpyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate (CID 168894858) is [3-[3-[(5-ethylpyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate.
What is the SMILES notation for [3-[3-[(5-ethylpyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate?
The canonical SMILES for [3-[3-[(5-ethylpyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate is CCc1cnc(Nc2cc(C3CCC(OC(=O)N4CCC4(C)C)C3)[nH]n2)cn1.
What is the InChIKey of [3-[3-[(5-ethylpyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate?
The InChIKey is LTVPKXTZLSFMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-4-14-11-22-18(12-21-14)23-17-10-16(24-25-17)13-5-6-15(9-13)28-19(27)26-8-7-20(26,2)3/h10-13,15H,4-9H2,1-3H3,(H2,22,23,24,25).
What are the key properties of [3-[3-[(5-ethylpyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate?
[3-[3-[(5-ethylpyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate has a molecular weight of 384.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(5-ethylpyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylazetidine-1-carboxylate is sourced from PubChem (CID 168894858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).