6-amino-4-[4-(2-methylimidazol-1-yl)phenyl]-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C22H17N7O — CID 135133238

IUPAC6-amino-4-[4-(2-methylimidazol-1-yl)phenyl]-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1nccn1-c1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4cccnc4)c32)cc1
InChIInChI=1S/C22H17N7O/c1-13-26-9-10-29(13)16-6-4-14(5-7-16)18-17(11-23)21(24)30-22-19(18)20(27-28-22)15-3-2-8-25-12-15/h2-10,12,18H,24H2,1H3,(H,27,28)
InChIKeyHGBZBPSQCIIPPL-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.18
Rot. Bonds3

About 6-amino-4-[4-(2-methylimidazol-1-yl)phenyl]-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-[4-(2-methylimidazol-1-yl)phenyl]-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 135133238) has the molecular formula C22H17N7O and a molecular weight of 395.43 g/mol. Its IUPAC name is 6-amino-4-[4-(2-methylimidazol-1-yl)phenyl]-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-[4-(2-methylimidazol-1-yl)phenyl]-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID135133238
Molecular FormulaC22H17N7O
Molecular Weight395.43 g/mol
Exact Mass395.15
IUPAC Name6-amino-4-[4-(2-methylimidazol-1-yl)phenyl]-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1nccn1-c1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4cccnc4)c32)cc1
InChIInChI=1S/C22H17N7O/c1-13-26-9-10-29(13)16-6-4-14(5-7-16)18-17(11-23)21(24)30-22-19(18)20(27-28-22)15-3-2-8-25-12-15/h2-10,12,18H,24H2,1H3,(H,27,28)
InChIKeyHGBZBPSQCIIPPL-UHFFFAOYSA-N
XLogP3.18
TPSA118.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4S)-6-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1046393
6-amino-4-(4-imidazol-1-ylphenyl)-3-pyrimidin-5-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 135133337
6-amino-1-methyl-3-pyridin-4-yl-4-[4-(2-pyridin-3-ylimidazol-1-yl)phenyl]-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 135133341
(4S)-6-amino-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1214296
6-amino-3-methyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 600130
(4S)-6-amino-4-(4-fluorophenyl)-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 704764
6-amino-4-(4-methoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3125753
6-amino-4-[4-(dimethylamino)phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3987344
(4S)-6-amino-4-(4-ethylphenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1212687
6-amino-4-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4544992
2-amino-6-methyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-4-[4-(2-pyridin-3-ylimidazol-1-yl)phenyl]-4H-pyran-3-carbonitrile
CID 145213795
2-amino-6-methyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-4-[4-(2-pyridin-3-ylimidazol-1-yl)phenyl]-4H-pyran-3-carbonitrile;ethane
CID 145213794

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[4-(2-methylimidazol-1-yl)phenyl]-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-[4-(2-methylimidazol-1-yl)phenyl]-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 135133238) is 6-amino-4-[4-(2-methylimidazol-1-yl)phenyl]-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-[4-(2-methylimidazol-1-yl)phenyl]-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-[4-(2-methylimidazol-1-yl)phenyl]-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1nccn1-c1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4cccnc4)c32)cc1.
What is the InChIKey of 6-amino-4-[4-(2-methylimidazol-1-yl)phenyl]-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is HGBZBPSQCIIPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O/c1-13-26-9-10-29(13)16-6-4-14(5-7-16)18-17(11-23)21(24)30-22-19(18)20(27-28-22)15-3-2-8-25-12-15/h2-10,12,18H,24H2,1H3,(H,27,28).
What are the key properties of 6-amino-4-[4-(2-methylimidazol-1-yl)phenyl]-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-[4-(2-methylimidazol-1-yl)phenyl]-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 395.43 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[4-(2-methylimidazol-1-yl)phenyl]-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 135133238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).