2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzonitrile

C25H17N5O — CID 154396472

IUPAC2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzonitrile
SMILESN#Cc1ccccc1-c1cc2[nH]nc(N)c2c(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C25H17N5O/c26-15-17-6-4-5-9-20(17)21-14-22-23(25(27)30-29-22)24(28-21)16-10-12-19(13-11-16)31-18-7-2-1-3-8-18/h1-14H,(H3,27,29,30)
InChIKeyHWKPEPUHKXZYHV-UHFFFAOYSA-N
MW403.45 g/mol
LogP5.54
Rot. Bonds4

About 2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzonitrile

2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzonitrile (PubChem CID 154396472) has the molecular formula C25H17N5O and a molecular weight of 403.45 g/mol. Its IUPAC name is 2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzonitrile
PubChem CID154396472
Molecular FormulaC25H17N5O
Molecular Weight403.45 g/mol
Exact Mass403.14
IUPAC Name2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzonitrile
SMILESN#Cc1ccccc1-c1cc2[nH]nc(N)c2c(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C25H17N5O/c26-15-17-6-4-5-9-20(17)21-14-22-23(25(27)30-29-22)24(28-21)16-10-12-19(13-11-16)31-18-7-2-1-3-8-18/h1-14H,(H3,27,29,30)
InChIKeyHWKPEPUHKXZYHV-UHFFFAOYSA-N
XLogP5.54
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.45
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzamide
CID 67574988
6-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine
CID 67574938
2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetohydrazide
CID 50996170
2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid
CID 154276679
3-[[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]amino]benzaldehyde
CID 89189052
2-[(3S)-3-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]piperidine-1-carbonyl]-3-cyclopropylprop-2-enenitrile
CID 140638806
3-amino-1H-indazole-4-carbonitrile
CID 54016394
2-[(3R)-3-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]piperidine-1-carbonyl]-4-methylpent-2-enenitrile
CID 71015237
4-(4-methoxyphenyl)-1H-indazol-3-amine
CID 118046988
7-[4-(dimethylamino)phenyl]-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine
CID 50997405
2-[2-[[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]methyl]pyrrolidine-1-carbonyl]-4-(dimethylamino)-4-methylpent-2-enenitrile
CID 71015143
2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile
CID 139214742

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzonitrile?
The IUPAC name of 2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzonitrile (CID 154396472) is 2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzonitrile?
The canonical SMILES for 2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzonitrile is N#Cc1ccccc1-c1cc2[nH]nc(N)c2c(-c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzonitrile?
The InChIKey is HWKPEPUHKXZYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5O/c26-15-17-6-4-5-9-20(17)21-14-22-23(25(27)30-29-22)24(28-21)16-10-12-19(13-11-16)31-18-7-2-1-3-8-18/h1-14H,(H3,27,29,30).
What are the key properties of 2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzonitrile?
2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzonitrile has a molecular weight of 403.45 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 154396472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).