N-cyclopropyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide

C22H21N3O3 — CID 68933586

IUPACN-cyclopropyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2CC2)ccc2[nH]nc(C=Cc3ccc4c(c3)CCO4)c12
InChIInChI=1S/C22H21N3O3/c1-27-21-16(22(26)23-15-4-5-15)6-8-18-20(21)17(24-25-18)7-2-13-3-9-19-14(12-13)10-11-28-19/h2-3,6-9,12,15H,4-5,10-11H2,1H3,(H,23,26)(H,24,25)
InChIKeyMJKOSCRDWWKMPO-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.57
Rot. Bonds5

About N-cyclopropyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide

N-cyclopropyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide (PubChem CID 68933586) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
PubChem CID68933586
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-cyclopropyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2CC2)ccc2[nH]nc(C=Cc3ccc4c(c3)CCO4)c12
InChIInChI=1S/C22H21N3O3/c1-27-21-16(22(26)23-15-4-5-15)6-8-18-20(21)17(24-25-18)7-2-13-3-9-19-14(12-13)10-11-28-19/h2-3,6-9,12,15H,4-5,10-11H2,1H3,(H,23,26)(H,24,25)
InChIKeyMJKOSCRDWWKMPO-UHFFFAOYSA-N
XLogP3.57
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
CID 68932447
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide
CID 72628015
N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 90916059
3-[2-(1-benzofuran-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 69284821
3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide
CID 68934311
N-cyclopropyl-4-methoxy-3-[2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide
CID 173122824
N-(cyanomethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 161181995
N-cyclopropyl-4-methoxy-3-(2-phenylethenyl)-2H-indazole-5-carboxamide
CID 136648690
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide
CID 59797305
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1H-pyrrol-2-ylmethyl)-1H-indazole-5-carboxamide
CID 91101370
2-amino-3-[3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-yl]-3-oxopropanoic acid
CID 68928279

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide (CID 68933586) is N-cyclopropyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide is COc1c(C(=O)NC2CC2)ccc2[nH]nc(C=Cc3ccc4c(c3)CCO4)c12.
What is the InChIKey of N-cyclopropyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
The InChIKey is MJKOSCRDWWKMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-27-21-16(22(26)23-15-4-5-15)6-8-18-20(21)17(24-25-18)7-2-13-3-9-19-14(12-13)10-11-28-19/h2-3,6-9,12,15H,4-5,10-11H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-cyclopropyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
N-cyclopropyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 68933586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).