6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carboxamide

C21H20N4O3 — CID 4975439

IUPAC6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(C2C(C(N)=O)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1
InChIInChI=1S/C21H20N4O3/c1-12-16-17(13-8-10-15(27-2)11-9-13)18(19(22)26)20(23)28-21(16)25(24-12)14-6-4-3-5-7-14/h3-11,17H,23H2,1-2H3,(H2,22,26)
InChIKeyKDODDGGNHROKPM-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.37
Rot. Bonds4

About 6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carboxamide

6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carboxamide (PubChem CID 4975439) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carboxamide
PubChem CID4975439
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(C2C(C(N)=O)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1
InChIInChI=1S/C21H20N4O3/c1-12-16-17(13-8-10-15(27-2)11-9-13)18(19(22)26)20(23)28-21(16)25(24-12)14-6-4-3-5-7-14/h3-11,17H,23H2,1-2H3,(H2,22,26)
InChIKeyKDODDGGNHROKPM-UHFFFAOYSA-N
XLogP2.37
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carboxamide with MolForge

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Related Compounds

ethyl 6-amino-4-(4-fluorophenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carboxylate
CID 5129065
(4S)-6-amino-4-(4-methoxyphenyl)-3-methyl-1-(4-methylphenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 1223293
4-(4-methoxyphenyl)-3-methyl-1-phenyl-6-(pyrrolidin-1-ylmethylideneamino)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 3729856
N'-[5-cyano-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-N,N-dimethylmethanimidamide
CID 4573553
(4S)-6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 985552
(4S)-6-amino-4-(2,5-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 1252596
4-(2-methoxyphenyl)-16-(4-methoxyphenyl)-14-methyl-12-phenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene
CID 4545670
(16S)-4-(4-chlorophenyl)-16-(4-methoxyphenyl)-14-methyl-12-phenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene
CID 40969351
(8R)-11-benzyl-8-(4-methoxyphenyl)-6-methyl-4-phenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-10-imine
CID 98169026
4-[(2,6-dimethylphenoxy)methyl]-16-(4-methoxyphenyl)-14-methyl-12-phenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene
CID 3605636
6-amino-4-(4-tert-butylphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 50884017
4-[(16R)-4-[(4-methoxyphenoxy)methyl]-14-methyl-12-phenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaen-16-yl]-N,N-dimethylaniline
CID 98230676

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carboxamide (CID 4975439) is 6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carboxamide is COc1ccc(C2C(C(N)=O)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1.
What is the InChIKey of 6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carboxamide?
The InChIKey is KDODDGGNHROKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-12-16-17(13-8-10-15(27-2)11-9-13)18(19(22)26)20(23)28-21(16)25(24-12)14-6-4-3-5-7-14/h3-11,17H,23H2,1-2H3,(H2,22,26).
What are the key properties of 6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carboxamide?
6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 4975439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).