N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide

C20H18FN3O2 — CID 59796913

IUPACN-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2CC2)ccc2[nH]nc(/C=C/c3cccc(F)c3)c12
InChIInChI=1S/C20H18FN3O2/c1-26-19-15(20(25)22-14-6-7-14)8-10-17-18(19)16(23-24-17)9-5-12-3-2-4-13(21)11-12/h2-5,8-11,14H,6-7H2,1H3,(H,22,25)(H,23,24)/b9-5+
InChIKeyPPVFLOWIZLMNDM-WEVVVXLNSA-N
MW351.38 g/mol
LogP3.77
Rot. Bonds5

About N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide

N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide (PubChem CID 59796913) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
PubChem CID59796913
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2CC2)ccc2[nH]nc(/C=C/c3cccc(F)c3)c12
InChIInChI=1S/C20H18FN3O2/c1-26-19-15(20(25)22-14-6-7-14)8-10-17-18(19)16(23-24-17)9-5-12-3-2-4-13(21)11-12/h2-5,8-11,14H,6-7H2,1H3,(H,22,25)(H,23,24)/b9-5+
InChIKeyPPVFLOWIZLMNDM-WEVVVXLNSA-N
XLogP3.77
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137349251
N-Benzyl-6-Hydroxy-N-Methyl-3-(3-Methylbenzyl)-1h-Indazole-5-Carboxamide
CID 135566719
N-(cyclopropyl(phenyl)methyl)-3-(4-((1-formylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 86711021
N-(cyclopropyl(phenyl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89509708
N-[cyclopropyl(phenyl)methyl]-3-[4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxyphenyl]-1H-indazole-5-carboxamide
CID 89509786
N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630303
6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630304
N-[(3-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630306
N-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630316
N-[(3,4-difluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630318
3-benzyl-6-hydroxy-N-methyl-N-[(4-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630323
3-benzyl-N-[(4-ethylphenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630324

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide (CID 59796913) is N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide is COc1c(C(=O)NC2CC2)ccc2[nH]nc(/C=C/c3cccc(F)c3)c12.
What is the InChIKey of N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
The InChIKey is PPVFLOWIZLMNDM-WEVVVXLNSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-26-19-15(20(25)22-14-6-7-14)8-10-17-18(19)16(23-24-17)9-5-12-3-2-4-13(21)11-12/h2-5,8-11,14H,6-7H2,1H3,(H,22,25)(H,23,24)/b9-5+.
What are the key properties of N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 59796913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).