N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide

C22H22N4O2 — CID 53195883

IUPACN-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
SMILESCCn1c(-c2cc(NC(=O)Cc3cccc(OC)c3)n[nH]2)cc2ccccc21
InChIInChI=1S/C22H22N4O2/c1-3-26-19-10-5-4-8-16(19)13-20(26)18-14-21(25-24-18)23-22(27)12-15-7-6-9-17(11-15)28-2/h4-11,13-14H,3,12H2,1-2H3,(H2,23,24,25,27)
InChIKeyPBCPFDHKNZEUHS-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.24
Rot. Bonds6

About N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide

N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide (PubChem CID 53195883) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
PubChem CID53195883
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
SMILESCCn1c(-c2cc(NC(=O)Cc3cccc(OC)c3)n[nH]2)cc2ccccc21
InChIInChI=1S/C22H22N4O2/c1-3-26-19-10-5-4-8-16(19)13-20(26)18-14-21(25-24-18)23-22(27)12-15-7-6-9-17(11-15)28-2/h4-11,13-14H,3,12H2,1-2H3,(H2,23,24,25,27)
InChIKeyPBCPFDHKNZEUHS-UHFFFAOYSA-N
XLogP4.24
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R*,2S*)-5'-methoxy-2-(3-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1H-indazol-6-yl)spiro[cyclopropane-1,3'-indolin]-2'-one
CID 58486157
(1R*,2S*)-5'-methoxy-2-(3-((E)-2-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)vinyl)-1H-indazol-6-yl)spiro[cyclopropane-1,3'-indolin]-2'-one
CID 58486268
N-[6-[4-[5-[[2-(1-methylindol-3-yl)acetyl]amino]-1,3,4-selenadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 155537412
(2'R,3S)-5-methoxy-2'-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486335
(2'S,3R)-5-methoxy-2'-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 67955686
N-[6-[4-[5-[[2-(5-methoxy-1-methylindol-3-yl)acetyl]amino]-1,3,4-selenadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 155528874
US10246426, Example 117
CID 118961979
US10246426, Example 151
CID 118961986
US10246426, Example 118
CID 118962011
US10246426, Example 240
CID 118962138
N-(1-{1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopropanecarboxamide
CID 24793059
N-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-3-methoxybenzamide
CID 49830466

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide (CID 53195883) is N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide is CCn1c(-c2cc(NC(=O)Cc3cccc(OC)c3)n[nH]2)cc2ccccc21.
What is the InChIKey of N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is PBCPFDHKNZEUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-3-26-19-10-5-4-8-16(19)13-20(26)18-14-21(25-24-18)23-22(27)12-15-7-6-9-17(11-15)28-2/h4-11,13-14H,3,12H2,1-2H3,(H2,23,24,25,27).
What are the key properties of N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide?
N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 374.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 53195883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).