6-amino-3-methyl-1-phenyl-4-quinolin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

C23H17N5O — CID 3154849

IUPAC6-amino-3-methyl-1-phenyl-4-quinolin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESCc1nn(-c2ccccc2)c2c1C(c1ccnc3ccccc13)C(C#N)=C(N)O2
InChIInChI=1S/C23H17N5O/c1-14-20-21(17-11-12-26-19-10-6-5-9-16(17)19)18(13-24)22(25)29-23(20)28(27-14)15-7-3-2-4-8-15/h2-12,21H,25H2,1H3
InChIKeySZPJLTNZFZFIRL-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.95
Rot. Bonds2

About 6-amino-3-methyl-1-phenyl-4-quinolin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

6-amino-3-methyl-1-phenyl-4-quinolin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (PubChem CID 3154849) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-amino-3-methyl-1-phenyl-4-quinolin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-methyl-1-phenyl-4-quinolin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
PubChem CID3154849
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name6-amino-3-methyl-1-phenyl-4-quinolin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESCc1nn(-c2ccccc2)c2c1C(c1ccnc3ccccc13)C(C#N)=C(N)O2
InChIInChI=1S/C23H17N5O/c1-14-20-21(17-11-12-26-19-10-6-5-9-16(17)19)18(13-24)22(25)29-23(20)28(27-14)15-7-3-2-4-8-15/h2-12,21H,25H2,1H3
InChIKeySZPJLTNZFZFIRL-UHFFFAOYSA-N
XLogP3.95
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dhp_amino_CN_B(9)', 'substructure': 'N/A'}

Analyze 6-amino-3-methyl-1-phenyl-4-quinolin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methoxy-2-phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11196622
6-Amino-3-ethyl-4-(4-pyridinyl)-1,4-dihydropyrano(2,3-C)pyrazole-5-carbonitrile
CID 653607
6-Amino-3-tert-BU-4-(3-pyridinyl)1,4-dihydropyrano(2,3-C)pyrazole-5-carbonitrile
CID 612356
6-Amino-4-(2,5-difluorophenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2961937
6-amino-4-(1H-indol-3-yl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4994275
6-Amino-1-methyl-3-propyl-4-(4-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 660117
6-Amino-3-tert-butyl-4-(4-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2945699
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline
CID 44223243
7-(1-(Piperidin-4-yl)-1h-pyrazol-4-yl)-4-(p-tolyloxy)quinoline
CID 134817449
6-Amino-1-(3-chlorophenyl)-3-methyl-4-(3-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 649721
6-amino-3-methyl-1-(4-methylphenyl)-4-(pyridin-4-yl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 655117
6-Amino-1-(3-chlorophenyl)-3-methyl-4-(4-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 658561

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-phenyl-4-quinolin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-methyl-1-phenyl-4-quinolin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (CID 3154849) is 6-amino-3-methyl-1-phenyl-4-quinolin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-methyl-1-phenyl-4-quinolin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-methyl-1-phenyl-4-quinolin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is Cc1nn(-c2ccccc2)c2c1C(c1ccnc3ccccc13)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-3-methyl-1-phenyl-4-quinolin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The InChIKey is SZPJLTNZFZFIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c1-14-20-21(17-11-12-26-19-10-6-5-9-16(17)19)18(13-24)22(25)29-23(20)28(27-14)15-7-3-2-4-8-15/h2-12,21H,25H2,1H3.
What are the key properties of 6-amino-3-methyl-1-phenyl-4-quinolin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
6-amino-3-methyl-1-phenyl-4-quinolin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile has a molecular weight of 379.42 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-phenyl-4-quinolin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is sourced from PubChem (CID 3154849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).