2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-7-ethylindol-1-yl]acetamide

C20H20N6O2 — CID 5217490

IUPAC2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-7-ethylindol-1-yl]acetamide
SMILESCCc1cccc2c(C3C(C#N)=C(N)Oc4n[nH]c(C)c43)cn(CC(N)=O)c12
InChIInChI=1S/C20H20N6O2/c1-3-11-5-4-6-12-14(8-26(18(11)12)9-15(22)27)17-13(7-21)19(23)28-20-16(17)10(2)24-25-20/h4-6,8,17H,3,9,23H2,1-2H3,(H2,22,27)(H,24,25)
InChIKeyLVXLBIVUWXITAZ-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.94
Rot. Bonds4

About 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-7-ethylindol-1-yl]acetamide

2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-7-ethylindol-1-yl]acetamide (PubChem CID 5217490) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-7-ethylindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-7-ethylindol-1-yl]acetamide
PubChem CID5217490
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-7-ethylindol-1-yl]acetamide
SMILESCCc1cccc2c(C3C(C#N)=C(N)Oc4n[nH]c(C)c43)cn(CC(N)=O)c12
InChIInChI=1S/C20H20N6O2/c1-3-11-5-4-6-12-14(8-26(18(11)12)9-15(22)27)17-13(7-21)19(23)28-20-16(17)10(2)24-25-20/h4-6,8,17H,3,9,23H2,1-2H3,(H2,22,27)(H,24,25)
InChIKeyLVXLBIVUWXITAZ-UHFFFAOYSA-N
XLogP1.94
TPSA135.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-4-[7-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4320524
6-amino-4-[7-ethyl-1-[(2-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4266004
methyl 2-[3-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]indol-1-yl]acetate
CID 1096208
(4S)-6-amino-4-(7-ethyl-1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 966945
6-amino-4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3996432
2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 5029079
6-amino-4-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3158951
(4S)-6-amino-4-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40906052
(4R)-6-amino-4-(2,3-diethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 930940
6-amino-3-methyl-4-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3158957
(4S)-6-amino-3-methyl-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 948183
(4S)-6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 677573

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-7-ethylindol-1-yl]acetamide?
The IUPAC name of 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-7-ethylindol-1-yl]acetamide (CID 5217490) is 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-7-ethylindol-1-yl]acetamide.
What is the SMILES notation for 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-7-ethylindol-1-yl]acetamide?
The canonical SMILES for 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-7-ethylindol-1-yl]acetamide is CCc1cccc2c(C3C(C#N)=C(N)Oc4n[nH]c(C)c43)cn(CC(N)=O)c12.
What is the InChIKey of 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-7-ethylindol-1-yl]acetamide?
The InChIKey is LVXLBIVUWXITAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-3-11-5-4-6-12-14(8-26(18(11)12)9-15(22)27)17-13(7-21)19(23)28-20-16(17)10(2)24-25-20/h4-6,8,17H,3,9,23H2,1-2H3,(H2,22,27)(H,24,25).
What are the key properties of 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-7-ethylindol-1-yl]acetamide?
2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-7-ethylindol-1-yl]acetamide has a molecular weight of 376.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-7-ethylindol-1-yl]acetamide is sourced from PubChem (CID 5217490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).