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

C20H18N6O2 — CID 50996170

IUPAC2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetohydrazide
SMILESNNC(=O)Cc1cc2[nH]nc(N)c2c(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C20H18N6O2/c21-20-18-16(25-26-20)10-13(11-17(27)24-22)23-19(18)12-6-8-15(9-7-12)28-14-4-2-1-3-5-14/h1-10H,11,22H2,(H,24,27)(H3,21,25,26)
InChIKeyGXDQDTXCNCOALR-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.53
Rot. Bonds5

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

2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetohydrazide (PubChem CID 50996170) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetohydrazide.

Molecular Properties

Compound Name2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetohydrazide
PubChem CID50996170
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetohydrazide
SMILESNNC(=O)Cc1cc2[nH]nc(N)c2c(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C20H18N6O2/c21-20-18-16(25-26-20)10-13(11-17(27)24-22)23-19(18)12-6-8-15(9-7-12)28-14-4-2-1-3-5-14/h1-10H,11,22H2,(H,24,27)(H3,21,25,26)
InChIKeyGXDQDTXCNCOALR-UHFFFAOYSA-N
XLogP2.53
TPSA131.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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]benzonitrile
CID 154396472
3-[[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]amino]benzaldehyde
CID 89189052
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
(Z)-2-[(2R)-2-[[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]methyl]pyrrolidine-1-carbonyl]-4-ethoxy-4-methylpent-2-enenitrile
CID 71015280
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-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide
CID 22260818
2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid
CID 154276679
2-(4-phenoxyphenoxy)acetohydrazide
CID 873173
N-[[4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]methyl]acetamide
CID 50997596
2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide
CID 11558446

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetohydrazide?
The IUPAC name of 2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetohydrazide (CID 50996170) is 2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetohydrazide.
What is the SMILES notation for 2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetohydrazide?
The canonical SMILES for 2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetohydrazide is NNC(=O)Cc1cc2[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]acetohydrazide?
The InChIKey is GXDQDTXCNCOALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c21-20-18-16(25-26-20)10-13(11-17(27)24-22)23-19(18)12-6-8-15(9-7-12)28-14-4-2-1-3-5-14/h1-10H,11,22H2,(H,24,27)(H3,21,25,26).
What are the key properties of 2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetohydrazide?
2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetohydrazide has a molecular weight of 374.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 4 hydrogen bond donors, and 6 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]acetohydrazide is sourced from PubChem (CID 50996170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).