3-[(3Z)-penta-1,3-dien-2-yl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[(E)-prop-1-enyl]furan-2-carboxamide

C22H22N6O2 — CID 142957949

IUPAC3-[(3Z)-penta-1,3-dien-2-yl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[(E)-prop-1-enyl]furan-2-carboxamide
SMILESC/C=C/NC(=O)c1ccco1.C=C(/C=C\C)c1n[nH]c2ccc(-c3ncn[nH]3)cc12
InChIInChI=1S/C14H13N5.C8H9NO2/c1-3-4-9(2)13-11-7-10(14-15-8-16-19-14)5-6-12(11)17-18-13;1-2-5-9-8(10)7-4-3-6-11-7/h3-8H,2H2,1H3,(H,17,18)(H,15,16,19);2-6H,1H3,(H,9,10)/b4-3-;5-2+
InChIKeyKYYJCRKCUDDRFM-SPKQNFTRSA-N
MW402.46 g/mol
LogP4.48
Rot. Bonds5

About 3-[(3Z)-penta-1,3-dien-2-yl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[(E)-prop-1-enyl]furan-2-carboxamide

3-[(3Z)-penta-1,3-dien-2-yl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[(E)-prop-1-enyl]furan-2-carboxamide (PubChem CID 142957949) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 3-[(3Z)-penta-1,3-dien-2-yl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[(E)-prop-1-enyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-[(3Z)-penta-1,3-dien-2-yl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[(E)-prop-1-enyl]furan-2-carboxamide
PubChem CID142957949
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name3-[(3Z)-penta-1,3-dien-2-yl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[(E)-prop-1-enyl]furan-2-carboxamide
SMILESC/C=C/NC(=O)c1ccco1.C=C(/C=C\C)c1n[nH]c2ccc(-c3ncn[nH]3)cc12
InChIInChI=1S/C14H13N5.C8H9NO2/c1-3-4-9(2)13-11-7-10(14-15-8-16-19-14)5-6-12(11)17-18-13;1-2-5-9-8(10)7-4-3-6-11-7/h3-8H,2H2,1H3,(H,17,18)(H,15,16,19);2-6H,1H3,(H,9,10)/b4-3-;5-2+
InChIKeyKYYJCRKCUDDRFM-SPKQNFTRSA-N
XLogP4.48
TPSA112.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(3Z)-penta-1,3-dien-2-yl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[(E)-prop-1-enyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(E)-prop-1-enyl]furan-2-carboxamide
CID 131242879
N-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78869375
acetaldehyde;formaldehyde;3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 142958156
4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide
CID 22479828
3-(3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 21092512
3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 22479813
N-[3-[2-amino-5-(1H-1,2,4-triazol-5-yl)benzenecarboximidoyl]phenyl]furan-2-carboxamide
CID 142958113
(Z,2E)-N-benzyl-2-[2-[5-(1H-1,2,4-triazol-5-yl)-2H-indazol-3-yl]ethylidene]pent-3-enamide
CID 142958001
3-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
CID 142662883
(3Z)-2-ethylidene-5-fluoro-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]cyclohepta-1,3,5-trien-1-yl]hexa-3,5-dienamide
CID 142958146
N-cyclobutyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
CID 20789123
N-(6-phenyl-1H-indazol-3-yl)furan-2-carboxamide
CID 69065534

Frequently Asked Questions

What is the IUPAC name of 3-[(3Z)-penta-1,3-dien-2-yl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[(E)-prop-1-enyl]furan-2-carboxamide?
The IUPAC name of 3-[(3Z)-penta-1,3-dien-2-yl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[(E)-prop-1-enyl]furan-2-carboxamide (CID 142957949) is 3-[(3Z)-penta-1,3-dien-2-yl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[(E)-prop-1-enyl]furan-2-carboxamide.
What is the SMILES notation for 3-[(3Z)-penta-1,3-dien-2-yl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[(E)-prop-1-enyl]furan-2-carboxamide?
The canonical SMILES for 3-[(3Z)-penta-1,3-dien-2-yl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[(E)-prop-1-enyl]furan-2-carboxamide is C/C=C/NC(=O)c1ccco1.C=C(/C=C\C)c1n[nH]c2ccc(-c3ncn[nH]3)cc12.
What is the InChIKey of 3-[(3Z)-penta-1,3-dien-2-yl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[(E)-prop-1-enyl]furan-2-carboxamide?
The InChIKey is KYYJCRKCUDDRFM-SPKQNFTRSA-N. The full InChI is InChI=1S/C14H13N5.C8H9NO2/c1-3-4-9(2)13-11-7-10(14-15-8-16-19-14)5-6-12(11)17-18-13;1-2-5-9-8(10)7-4-3-6-11-7/h3-8H,2H2,1H3,(H,17,18)(H,15,16,19);2-6H,1H3,(H,9,10)/b4-3-;5-2+.
What are the key properties of 3-[(3Z)-penta-1,3-dien-2-yl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[(E)-prop-1-enyl]furan-2-carboxamide?
3-[(3Z)-penta-1,3-dien-2-yl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[(E)-prop-1-enyl]furan-2-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 4.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z)-penta-1,3-dien-2-yl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[(E)-prop-1-enyl]furan-2-carboxamide is sourced from PubChem (CID 142957949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).