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

C22H24N6O3 — CID 5029079

IUPAC2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)indol-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)c2ccccc21
InChIInChI=1S/C22H24N6O3/c1-13-19-20(15(10-23)21(24)31-22(19)27-26-13)16-11-28(17-7-4-3-6-14(16)17)12-18(29)25-8-5-9-30-2/h3-4,6-7,11,20H,5,8-9,12,24H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyUONPUVDRWZVILP-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.04
Rot. Bonds7

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

2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)indol-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 5029079) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)indol-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)indol-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID5029079
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)indol-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)c2ccccc21
InChIInChI=1S/C22H24N6O3/c1-13-19-20(15(10-23)21(24)31-22(19)27-26-13)16-11-28(17-7-4-3-6-14(16)17)12-18(29)25-8-5-9-30-2/h3-4,6-7,11,20H,5,8-9,12,24H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyUONPUVDRWZVILP-UHFFFAOYSA-N
XLogP2.04
TPSA130.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
6-amino-3-methyl-4-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3158957
2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-7-ethylindol-1-yl]acetamide
CID 5217490
2-[3-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 40581551
(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
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
6-amino-4-(2,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2832260
6-amino-4-[3-[6-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]hexoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 139234738
(4R)-6-amino-4-[2-[(2-fluorophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1316762
(4R)-6-amino-4-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 893876
(E)-2-cyano-N-cyclohexyl-3-[1-[2-(3-methoxypropylamino)-2-oxoethyl]indol-3-yl]prop-2-enamide
CID 5292421
2-cyano-N-cyclohexyl-3-[1-[2-(3-methoxypropylamino)-2-oxoethyl]indol-3-yl]prop-2-enamide
CID 3144609

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)indol-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 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) is 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)indol-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)indol-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)indol-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cn1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)c2ccccc21.
What is the InChIKey of 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)indol-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is UONPUVDRWZVILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-13-19-20(15(10-23)21(24)31-22(19)27-26-13)16-11-28(17-7-4-3-6-14(16)17)12-18(29)25-8-5-9-30-2/h3-4,6-7,11,20H,5,8-9,12,24H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of 2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)indol-1-yl]-N-(3-methoxypropyl)acetamide?
2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)indol-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 420.47 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 7 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)indol-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 5029079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).