4-methoxy-3-(2-pyrazin-2-ylethenyl)-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide

C20H17N5O2S — CID 72628039

IUPAC4-methoxy-3-(2-pyrazin-2-ylethenyl)-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccsc2)ccc2n[nH]c(C=Cc3cnccn3)c12
InChIInChI=1S/C20H17N5O2S/c1-27-19-15(20(26)23-10-13-6-9-28-12-13)3-5-17-18(19)16(24-25-17)4-2-14-11-21-7-8-22-14/h2-9,11-12H,10H2,1H3,(H,23,26)(H,24,25)
InChIKeyRCPNOUOHPZKXNM-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.52
Rot. Bonds6

About 4-methoxy-3-(2-pyrazin-2-ylethenyl)-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide

4-methoxy-3-(2-pyrazin-2-ylethenyl)-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 72628039) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is 4-methoxy-3-(2-pyrazin-2-ylethenyl)-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-methoxy-3-(2-pyrazin-2-ylethenyl)-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide
PubChem CID72628039
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Name4-methoxy-3-(2-pyrazin-2-ylethenyl)-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccsc2)ccc2n[nH]c(C=Cc3cnccn3)c12
InChIInChI=1S/C20H17N5O2S/c1-27-19-15(20(26)23-10-13-6-9-28-12-13)3-5-17-18(19)16(24-25-17)4-2-14-11-21-7-8-22-14/h2-9,11-12H,10H2,1H3,(H,23,26)(H,24,25)
InChIKeyRCPNOUOHPZKXNM-UHFFFAOYSA-N
XLogP3.52
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
CID 23589680
3-(3-fluorophenyl)-6-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
CID 23589684
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide
CID 56591354
3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-(2-hydroxy-1-phenylethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 57584837
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-3-ylethyl)-1H-indazole-5-carboxamide
CID 60034595
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1H-pyrrol-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60034610
3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60034616
3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60034617
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-2-ylethyl)-1H-indazole-5-carboxamide
CID 60034634
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
CID 60034643
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 60034708
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60034729

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-pyrazin-2-ylethenyl)-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide?
The IUPAC name of 4-methoxy-3-(2-pyrazin-2-ylethenyl)-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide (CID 72628039) is 4-methoxy-3-(2-pyrazin-2-ylethenyl)-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide.
What is the SMILES notation for 4-methoxy-3-(2-pyrazin-2-ylethenyl)-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide?
The canonical SMILES for 4-methoxy-3-(2-pyrazin-2-ylethenyl)-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide is COc1c(C(=O)NCc2ccsc2)ccc2n[nH]c(C=Cc3cnccn3)c12.
What is the InChIKey of 4-methoxy-3-(2-pyrazin-2-ylethenyl)-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide?
The InChIKey is RCPNOUOHPZKXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-27-19-15(20(26)23-10-13-6-9-28-12-13)3-5-17-18(19)16(24-25-17)4-2-14-11-21-7-8-22-14/h2-9,11-12H,10H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 4-methoxy-3-(2-pyrazin-2-ylethenyl)-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide?
4-methoxy-3-(2-pyrazin-2-ylethenyl)-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-pyrazin-2-ylethenyl)-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 72628039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).