6-amino-3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-4-(4-imidazol-1-ylphenyl)-1-propan-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

C25H25N7O — CID 145213802

IUPAC6-amino-3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-4-(4-imidazol-1-ylphenyl)-1-propan-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESC=C/C(=N\C=C/C)c1nn(C(C)C)c2c1C(c1ccc(-n3ccnc3)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C25H25N7O/c1-5-11-29-20(6-2)23-22-21(17-7-9-18(10-8-17)31-13-12-28-15-31)19(14-26)24(27)33-25(22)32(30-23)16(3)4/h5-13,15-16,21H,2,27H2,1,3-4H3/b11-5-,29-20+
InChIKeyCDTQIPMVCBDYMH-DYZQWWAXSA-N
MW439.52 g/mol
LogP4.38
Rot. Bonds6

About 6-amino-3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-4-(4-imidazol-1-ylphenyl)-1-propan-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

6-amino-3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-4-(4-imidazol-1-ylphenyl)-1-propan-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (PubChem CID 145213802) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 6-amino-3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-4-(4-imidazol-1-ylphenyl)-1-propan-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-4-(4-imidazol-1-ylphenyl)-1-propan-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
PubChem CID145213802
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name6-amino-3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-4-(4-imidazol-1-ylphenyl)-1-propan-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESC=C/C(=N\C=C/C)c1nn(C(C)C)c2c1C(c1ccc(-n3ccnc3)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C25H25N7O/c1-5-11-29-20(6-2)23-22-21(17-7-9-18(10-8-17)31-13-12-28-15-31)19(14-26)24(27)33-25(22)32(30-23)16(3)4/h5-13,15-16,21H,2,27H2,1,3-4H3/b11-5-,29-20+
InChIKeyCDTQIPMVCBDYMH-DYZQWWAXSA-N
XLogP4.38
TPSA107.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dhp_amino_CN_B(9)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-amino-3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-4-(4-imidazol-1-ylphenyl)-1-propan-2-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

6-amino-3-tert-butyl-1-cyclopropyl-4-(4-imidazol-1-ylphenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 135132716
6-amino-4-(4-morpholin-4-ylphenyl)-1,3-di(propan-2-yl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 135138621
6-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-4-(4-imidazol-1-ylphenyl)-1-methyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 135132709
2-amino-4-(4-imidazol-1-ylphenyl)-6-methyl-5-(N-propan-2-yl-C-pyrimidin-5-ylcarbonimidoyl)-4H-pyran-3-carbonitrile;methylcyclopropane
CID 145213897
6-amino-4-(4-imidazol-1-ylphenyl)-3-pyrimidin-5-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 135133337
6-amino-4-(4-imidazol-1-ylphenyl)-3-(5-isocyano-1-benzofuran-2-yl)-1-methyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 140879512
6-amino-4-(4-imidazol-1-ylphenyl)-3-(pyridin-2-ylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 135133018
6-hydroxy-4-(4-imidazol-1-ylphenyl)-1-methyl-3-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 135133022
ethane;2-hydroxy-4-(4-imidazol-1-ylphenyl)-6-methyl-5-[N-methyl-C-[3-[(Z)-3-methylpent-1-enyl]iminoprop-1-en-2-yl]carbonimidoyl]-4H-pyran-3-carbonitrile
CID 145213773
6-amino-4-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile;ethanol
CID 90485049
(4S)-6-amino-4-(4-chlorophenyl)-3-methyl-1-(4-methylphenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 1215452
(1R)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-amine
CID 55278574

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-4-(4-imidazol-1-ylphenyl)-1-propan-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-4-(4-imidazol-1-ylphenyl)-1-propan-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (CID 145213802) is 6-amino-3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-4-(4-imidazol-1-ylphenyl)-1-propan-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-4-(4-imidazol-1-ylphenyl)-1-propan-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-4-(4-imidazol-1-ylphenyl)-1-propan-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is C=C/C(=N\C=C/C)c1nn(C(C)C)c2c1C(c1ccc(-n3ccnc3)cc1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-4-(4-imidazol-1-ylphenyl)-1-propan-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The InChIKey is CDTQIPMVCBDYMH-DYZQWWAXSA-N. The full InChI is InChI=1S/C25H25N7O/c1-5-11-29-20(6-2)23-22-21(17-7-9-18(10-8-17)31-13-12-28-15-31)19(14-26)24(27)33-25(22)32(30-23)16(3)4/h5-13,15-16,21H,2,27H2,1,3-4H3/b11-5-,29-20+.
What are the key properties of 6-amino-3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-4-(4-imidazol-1-ylphenyl)-1-propan-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
6-amino-3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-4-(4-imidazol-1-ylphenyl)-1-propan-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile has a molecular weight of 439.52 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-4-(4-imidazol-1-ylphenyl)-1-propan-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is sourced from PubChem (CID 145213802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).