3-methyl-6-(morpholin-4-ylmethylideneamino)-1,4-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

C25H23N5O2 — CID 4578973

IUPAC3-methyl-6-(morpholin-4-ylmethylideneamino)-1,4-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESCc1nn(-c2ccccc2)c2c1C(c1ccccc1)C(C#N)=C(N=CN1CCOCC1)O2
InChIInChI=1S/C25H23N5O2/c1-18-22-23(19-8-4-2-5-9-19)21(16-26)24(27-17-29-12-14-31-15-13-29)32-25(22)30(28-18)20-10-6-3-7-11-20/h2-11,17,23H,12-15H2,1H3
InChIKeyXFLRTVHZFMAJQK-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.80
Rot. Bonds4

About 3-methyl-6-(morpholin-4-ylmethylideneamino)-1,4-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

3-methyl-6-(morpholin-4-ylmethylideneamino)-1,4-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (PubChem CID 4578973) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 3-methyl-6-(morpholin-4-ylmethylideneamino)-1,4-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name3-methyl-6-(morpholin-4-ylmethylideneamino)-1,4-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
PubChem CID4578973
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name3-methyl-6-(morpholin-4-ylmethylideneamino)-1,4-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESCc1nn(-c2ccccc2)c2c1C(c1ccccc1)C(C#N)=C(N=CN1CCOCC1)O2
InChIInChI=1S/C25H23N5O2/c1-18-22-23(19-8-4-2-5-9-19)21(16-26)24(27-17-29-12-14-31-15-13-29)32-25(22)30(28-18)20-10-6-3-7-11-20/h2-11,17,23H,12-15H2,1H3
InChIKeyXFLRTVHZFMAJQK-UHFFFAOYSA-N
XLogP3.80
TPSA75.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)-3-methyl-1-phenyl-6-(pyrrolidin-1-ylmethylideneamino)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 3729856
4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-6-(pyrrolidin-1-ylmethylideneamino)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 4003109
N'-[5-cyano-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazol-6-yl]-N,N-dimethylmethanimidamide
CID 4573553
6-amino-4-(4-tert-butylphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 50884017
6-amino-3-methyl-1-phenyl-4-pyridin-1-ium-3-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 4739438
3-(6-amino-5-cyano-3-methyl-4-phenyl-4H-pyrano[3,2-d]pyrazol-1-yl)benzoic acid
CID 50888133
(4R)-6-amino-4-(3,4-dichlorophenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 983475
(4R)-6-amino-4-(2-bromophenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 1114946
6-amino-3-methyl-4-(2-methylphenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 3123533
(4R)-6-amino-3-methyl-1-phenyl-4-pyridin-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 679346
6-amino-4-(2-iodophenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 21177783
6-amino-4-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile;ethanol
CID 90485049

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(morpholin-4-ylmethylideneamino)-1,4-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The IUPAC name of 3-methyl-6-(morpholin-4-ylmethylideneamino)-1,4-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (CID 4578973) is 3-methyl-6-(morpholin-4-ylmethylideneamino)-1,4-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
What is the SMILES notation for 3-methyl-6-(morpholin-4-ylmethylideneamino)-1,4-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The canonical SMILES for 3-methyl-6-(morpholin-4-ylmethylideneamino)-1,4-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)C(C#N)=C(N=CN1CCOCC1)O2.
What is the InChIKey of 3-methyl-6-(morpholin-4-ylmethylideneamino)-1,4-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The InChIKey is XFLRTVHZFMAJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-18-22-23(19-8-4-2-5-9-19)21(16-26)24(27-17-29-12-14-31-15-13-29)32-25(22)30(28-18)20-10-6-3-7-11-20/h2-11,17,23H,12-15H2,1H3.
What are the key properties of 3-methyl-6-(morpholin-4-ylmethylideneamino)-1,4-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
3-methyl-6-(morpholin-4-ylmethylideneamino)-1,4-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile has a molecular weight of 425.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(morpholin-4-ylmethylideneamino)-1,4-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is sourced from PubChem (CID 4578973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).