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

C25H19N5O2 — CID 67574988

IUPAC4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzamide
SMILESNC(=O)c1ccc(-c2cc3[nH]nc(N)c3c(-c3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C25H19N5O2/c26-24-22-21(29-30-24)14-20(15-6-8-17(9-7-15)25(27)31)28-23(22)16-10-12-19(13-11-16)32-18-4-2-1-3-5-18/h1-14H,(H2,27,31)(H3,26,29,30)
InChIKeyQDGJMUGVDGHZHN-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.77
Rot. Bonds5

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

4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzamide (PubChem CID 67574988) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzamide.

Molecular Properties

Compound Name4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzamide
PubChem CID67574988
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC Name4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzamide
SMILESNC(=O)c1ccc(-c2cc3[nH]nc(N)c3c(-c3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C25H19N5O2/c26-24-22-21(29-30-24)14-20(15-6-8-17(9-7-15)25(27)31)28-23(22)16-10-12-19(13-11-16)32-18-4-2-1-3-5-18/h1-14H,(H2,27,31)(H3,26,29,30)
InChIKeyQDGJMUGVDGHZHN-UHFFFAOYSA-N
XLogP4.77
TPSA119.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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]benzonitrile
CID 154396472
2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetohydrazide
CID 50996170
3-[[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]amino]benzaldehyde
CID 89189052
2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid
CID 154276679
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
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-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083628
4-(4-carbamoylphenoxy)benzamide
CID 156597124
(E)-but-2-enedioic acid;4-phenoxybenzamide
CID 68593915
2-[[4-[4-amino-5-carbamimidoyl-6-(4-phenoxyphenyl)-2-pyridinyl]benzoyl]amino]acetic acid
CID 129083547
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzamide?
The IUPAC name of 4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzamide (CID 67574988) is 4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzamide.
What is the SMILES notation for 4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzamide?
The canonical SMILES for 4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzamide is NC(=O)c1ccc(-c2cc3[nH]nc(N)c3c(-c3ccc(Oc4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzamide?
The InChIKey is QDGJMUGVDGHZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2/c26-24-22-21(29-30-24)14-20(15-6-8-17(9-7-15)25(27)31)28-23(22)16-10-12-19(13-11-16)32-18-4-2-1-3-5-18/h1-14H,(H2,27,31)(H3,26,29,30).
What are the key properties of 4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzamide?
4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzamide has a molecular weight of 421.46 g/mol, XLogP of 4.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzamide is sourced from PubChem (CID 67574988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).