N'-(3,4-dihydro-2H-pyrrol-5-yl)-6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide

C25H24N6O2 — CID 4603691

IUPACN'-(3,4-dihydro-2H-pyrrol-5-yl)-6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC3=NCCC3)c3c(C)nn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C25H24N6O2/c1-16-23-20(25(32)29-28-22-9-6-14-26-22)15-21(17-10-12-19(33-2)13-11-17)27-24(23)31(30-16)18-7-4-3-5-8-18/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,26,28)(H,29,32)
InChIKeyCZZLEPWAAKSFKT-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.83
Rot. Bonds4

About N'-(3,4-dihydro-2H-pyrrol-5-yl)-6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide

N'-(3,4-dihydro-2H-pyrrol-5-yl)-6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide (PubChem CID 4603691) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N'-(3,4-dihydro-2H-pyrrol-5-yl)-6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4-dihydro-2H-pyrrol-5-yl)-6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide
PubChem CID4603691
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC NameN'-(3,4-dihydro-2H-pyrrol-5-yl)-6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC3=NCCC3)c3c(C)nn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C25H24N6O2/c1-16-23-20(25(32)29-28-22-9-6-14-26-22)15-21(17-10-12-19(33-2)13-11-17)27-24(23)31(30-16)18-7-4-3-5-8-18/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,26,28)(H,29,32)
InChIKeyCZZLEPWAAKSFKT-UHFFFAOYSA-N
XLogP3.83
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dihydro-2H-pyrrol-5-yl)-6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The IUPAC name of N'-(3,4-dihydro-2H-pyrrol-5-yl)-6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide (CID 4603691) is N'-(3,4-dihydro-2H-pyrrol-5-yl)-6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(3,4-dihydro-2H-pyrrol-5-yl)-6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for N'-(3,4-dihydro-2H-pyrrol-5-yl)-6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide is COc1ccc(-c2cc(C(=O)NNC3=NCCC3)c3c(C)nn(-c4ccccc4)c3n2)cc1.
What is the InChIKey of N'-(3,4-dihydro-2H-pyrrol-5-yl)-6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The InChIKey is CZZLEPWAAKSFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-16-23-20(25(32)29-28-22-9-6-14-26-22)15-21(17-10-12-19(33-2)13-11-17)27-24(23)31(30-16)18-7-4-3-5-8-18/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,26,28)(H,29,32).
What are the key properties of N'-(3,4-dihydro-2H-pyrrol-5-yl)-6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
N'-(3,4-dihydro-2H-pyrrol-5-yl)-6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide has a molecular weight of 440.51 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dihydro-2H-pyrrol-5-yl)-6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 4603691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).