[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone

C18H21N7O2 — CID 120824242

IUPAC[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCC(c2nnc3n2CCNC3)CC1
InChIInChI=1S/C18H21N7O2/c26-18(14-10-13(20-21-14)15-2-1-9-27-15)24-6-3-12(4-7-24)17-23-22-16-11-19-5-8-25(16)17/h1-2,9-10,12,19H,3-8,11H2,(H,20,21)
InChIKeyACJBFILEVWQVSG-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.38
Rot. Bonds3

About [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone (PubChem CID 120824242) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
PubChem CID120824242
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCC(c2nnc3n2CCNC3)CC1
InChIInChI=1S/C18H21N7O2/c26-18(14-10-13(20-21-14)15-2-1-9-27-15)24-6-3-12(4-7-24)17-23-22-16-11-19-5-8-25(16)17/h1-2,9-10,12,19H,3-8,11H2,(H,20,21)
InChIKeyACJBFILEVWQVSG-UHFFFAOYSA-N
XLogP1.38
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120824241
1,4-diazepan-1-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119417177
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 87042114
[5-(furan-2-yl)-1H-pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995824
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone
CID 126808000
[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 35554692
[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-thieno[3,2-b]furan-5-ylmethanone
CID 154833972
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 52736004
(4-phenyl-1H-pyrrol-3-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120833356
3-azabicyclo[4.1.0]heptan-3-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 166245024
[3-(dimethylamino)phenyl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120823752
1,3-benzodioxol-5-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120823239

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone (CID 120824242) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCC(c2nnc3n2CCNC3)CC1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
The InChIKey is ACJBFILEVWQVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c26-18(14-10-13(20-21-14)15-2-1-9-27-15)24-6-3-12(4-7-24)17-23-22-16-11-19-5-8-25(16)17/h1-2,9-10,12,19H,3-8,11H2,(H,20,21).
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone has a molecular weight of 367.41 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 120824242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).