[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone

C22H22N4O2 — CID 87042114

IUPAC[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCc1[nH]c2ccccc2c1C1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C22H22N4O2/c1-14-21(16-5-2-3-6-17(16)23-14)15-8-10-26(11-9-15)22(27)19-13-18(24-25-19)20-7-4-12-28-20/h2-7,12-13,15,23H,8-11H2,1H3,(H,24,25)
InChIKeyRXOCPVSSAVHDJK-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.48
Rot. Bonds3

About [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone (PubChem CID 87042114) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
PubChem CID87042114
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCc1[nH]c2ccccc2c1C1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C22H22N4O2/c1-14-21(16-5-2-3-6-17(16)23-14)15-8-10-26(11-9-15)22(27)19-13-18(24-25-19)20-7-4-12-28-20/h2-7,12-13,15,23H,8-11H2,1H3,(H,24,25)
InChIKeyRXOCPVSSAVHDJK-UHFFFAOYSA-N
XLogP4.48
TPSA77.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[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]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 52736004
[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
[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 35554692
[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
(4-tert-butylazepan-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 86962168
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 35555894
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541109
3-azabicyclo[4.1.0]heptan-3-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 166245024
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 43056712
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759149
(2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone
CID 20910914

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone (CID 87042114) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone is Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone?
The InChIKey is RXOCPVSSAVHDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-21(16-5-2-3-6-17(16)23-14)15-8-10-26(11-9-15)22(27)19-13-18(24-25-19)20-7-4-12-28-20/h2-7,12-13,15,23H,8-11H2,1H3,(H,24,25).
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone?
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone has a molecular weight of 374.44 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 87042114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).