[3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;1-cyclopropyl-N-methylethanamine

C20H27N7O2 — CID 168894882

IUPAC[3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;1-cyclopropyl-N-methylethanamine
SMILESCNC(C)C1CC1.N#Cc1cnc(Nc2cc(C3CCC(OC=O)C3)[nH]n2)cn1
InChIInChI=1S/C14H14N6O2.C6H13N/c15-5-10-6-17-14(7-16-10)18-13-4-12(19-20-13)9-1-2-11(3-9)22-8-21;1-5(7-2)6-3-4-6/h4,6-9,11H,1-3H2,(H2,17,18,19,20);5-7H,3-4H2,1-2H3
InChIKeyLFTXUYCZDGEAGI-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.63
Rot. Bonds7

About [3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;1-cyclopropyl-N-methylethanamine

[3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;1-cyclopropyl-N-methylethanamine (PubChem CID 168894882) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is [3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;1-cyclopropyl-N-methylethanamine.

Molecular Properties

Compound Name[3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;1-cyclopropyl-N-methylethanamine
PubChem CID168894882
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC Name[3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;1-cyclopropyl-N-methylethanamine
SMILESCNC(C)C1CC1.N#Cc1cnc(Nc2cc(C3CCC(OC=O)C3)[nH]n2)cn1
InChIInChI=1S/C14H14N6O2.C6H13N/c15-5-10-6-17-14(7-16-10)18-13-4-12(19-20-13)9-1-2-11(3-9)22-8-21;1-5(7-2)6-3-4-6/h4,6-9,11H,1-3H2,(H2,17,18,19,20);5-7H,3-4H2,1-2H3
InChIKeyLFTXUYCZDGEAGI-UHFFFAOYSA-N
XLogP2.63
TPSA128.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[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] N-(2,2,2-trifluoroethyl)carbamate;ethane
CID 168894876
[(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-propan-2-yl-1H-pyrazol-5-yl)cyclopentyl] formate
CID 177323847
5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluoroethyl)-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 170070486
[3-[3-[[2-(2-formyl-3-hydroxy-5-methoxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] formate
CID 176998396
[(1S,3R)-3-[3-[(5-dimethylphosphoryl-2-pyridinyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076434
5-[[5-(2-cyclopentyloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 166147987
5-[[5-(4-cycloheptyloxy-6-cyclopropyl-2-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 171653642
5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 166147771
cyclobutanamine;5-[[5-(3-fluoro-5-hydroxy-2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 171653678

Frequently Asked Questions

What is the IUPAC name of [3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;1-cyclopropyl-N-methylethanamine?
The IUPAC name of [3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;1-cyclopropyl-N-methylethanamine (CID 168894882) is [3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;1-cyclopropyl-N-methylethanamine.
What is the SMILES notation for [3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;1-cyclopropyl-N-methylethanamine?
The canonical SMILES for [3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;1-cyclopropyl-N-methylethanamine is CNC(C)C1CC1.N#Cc1cnc(Nc2cc(C3CCC(OC=O)C3)[nH]n2)cn1.
What is the InChIKey of [3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;1-cyclopropyl-N-methylethanamine?
The InChIKey is LFTXUYCZDGEAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2.C6H13N/c15-5-10-6-17-14(7-16-10)18-13-4-12(19-20-13)9-1-2-11(3-9)22-8-21;1-5(7-2)6-3-4-6/h4,6-9,11H,1-3H2,(H2,17,18,19,20);5-7H,3-4H2,1-2H3.
What are the key properties of [3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;1-cyclopropyl-N-methylethanamine?
[3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;1-cyclopropyl-N-methylethanamine has a molecular weight of 397.48 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;1-cyclopropyl-N-methylethanamine is sourced from PubChem (CID 168894882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).