N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide

C21H18N4O3 — CID 59797159

IUPACN-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(/C=C/c3ccncc3)c12
InChIInChI=1S/C21H18N4O3/c1-27-20-16(21(26)23-13-15-3-2-12-28-15)5-7-18-19(20)17(24-25-18)6-4-14-8-10-22-11-9-14/h2-12H,13H2,1H3,(H,23,26)(H,24,25)/b6-4+
InChIKeyHUAQWCVNNPMNJE-GQCTYLIASA-N
MW374.40 g/mol
LogP3.66
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide

N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide (PubChem CID 59797159) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide
PubChem CID59797159
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(/C=C/c3ccncc3)c12
InChIInChI=1S/C21H18N4O3/c1-27-20-16(21(26)23-13-15-3-2-12-28-15)5-7-18-19(20)17(24-25-18)6-4-14-8-10-22-11-9-14/h2-12H,13H2,1H3,(H,23,26)(H,24,25)/b6-4+
InChIKeyHUAQWCVNNPMNJE-GQCTYLIASA-N
XLogP3.66
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide (CID 59797159) is N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2ccco2)ccc2[nH]nc(/C=C/c3ccncc3)c12.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide?
The InChIKey is HUAQWCVNNPMNJE-GQCTYLIASA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-20-16(21(26)23-13-15-3-2-12-28-15)5-7-18-19(20)17(24-25-18)6-4-14-8-10-22-11-9-14/h2-12H,13H2,1H3,(H,23,26)(H,24,25)/b6-4+.
What are the key properties of N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide?
N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 59797159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).