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

C21H20FN3O3 — CID 136648325

IUPACN-cyclopropyl-3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide
SMILESO=C(NC1CC1)c1ccc2n[nH]c(C=Cc3ccc(F)cc3)c2c1OCCO
InChIInChI=1S/C21H20FN3O3/c22-14-4-1-13(2-5-14)3-9-17-19-18(25-24-17)10-8-16(20(19)28-12-11-26)21(27)23-15-6-7-15/h1-5,8-10,15,26H,6-7,11-12H2,(H,23,27)(H,24,25)
InChIKeyPTSMJJPJQRGSKZ-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.14
Rot. Bonds7

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

N-cyclopropyl-3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide (PubChem CID 136648325) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide
PubChem CID136648325
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-cyclopropyl-3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide
SMILESO=C(NC1CC1)c1ccc2n[nH]c(C=Cc3ccc(F)cc3)c2c1OCCO
InChIInChI=1S/C21H20FN3O3/c22-14-4-1-13(2-5-14)3-9-17-19-18(25-24-17)10-8-16(20(19)28-12-11-26)21(27)23-15-6-7-15/h1-5,8-10,15,26H,6-7,11-12H2,(H,23,27)(H,24,25)
InChIKeyPTSMJJPJQRGSKZ-UHFFFAOYSA-N
XLogP3.14
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide
CID 173123144
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide
CID 135987909
N-cyclopropyl-4-methoxy-3-[2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide
CID 173122824
N-cyclopropyl-4-methoxy-3-(2-phenylethenyl)-2H-indazole-5-carboxamide
CID 136648690
3-[2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide
CID 136651581
N-cyclopropyl-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
CID 135987934
3-[(E)-2-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide
CID 163665992
3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-1H-indazole-5-carboxylic acid
CID 68930611
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide
CID 72628015
N-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide
CID 158360024
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-aminophenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-aminophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-aminophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide
CID 161122132
N-[2-(cyclohexylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 68935587

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide (CID 136648325) is N-cyclopropyl-3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide is O=C(NC1CC1)c1ccc2n[nH]c(C=Cc3ccc(F)cc3)c2c1OCCO.
What is the InChIKey of N-cyclopropyl-3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide?
The InChIKey is PTSMJJPJQRGSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-14-4-1-13(2-5-14)3-9-17-19-18(25-24-17)10-8-16(20(19)28-12-11-26)21(27)23-15-6-7-15/h1-5,8-10,15,26H,6-7,11-12H2,(H,23,27)(H,24,25).
What are the key properties of N-cyclopropyl-3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide?
N-cyclopropyl-3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide is sourced from PubChem (CID 136648325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).