N'-[2-(1H-indol-3-yl)acetyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide

C25H24N6O2S — CID 46690705

IUPACN'-[2-(1H-indol-3-yl)acetyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)Cc3c[nH]c4ccccc34)c3cnn(C(C)C)c3n2)s1
InChIInChI=1S/C25H24N6O2S/c1-14(2)31-24-19(13-27-31)18(11-21(28-24)22-9-8-15(3)34-22)25(33)30-29-23(32)10-16-12-26-20-7-5-4-6-17(16)20/h4-9,11-14,26H,10H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyZBVZIEIQVQCYAX-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.53
Rot. Bonds5

About N'-[2-(1H-indol-3-yl)acetyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide

N'-[2-(1H-indol-3-yl)acetyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide (PubChem CID 46690705) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
PubChem CID46690705
Molecular FormulaC25H24N6O2S
Molecular Weight472.57 g/mol
Exact Mass472.17
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)Cc3c[nH]c4ccccc34)c3cnn(C(C)C)c3n2)s1
InChIInChI=1S/C25H24N6O2S/c1-14(2)31-24-19(13-27-31)18(11-21(28-24)22-9-8-15(3)34-22)25(33)30-29-23(32)10-16-12-26-20-7-5-4-6-17(16)20/h4-9,11-14,26H,10H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyZBVZIEIQVQCYAX-UHFFFAOYSA-N
XLogP4.53
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(5-methylthiophen-2-yl)-N,1-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46689458
2-[[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid
CID 119350254
N-(2-aminoethyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119384940
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(1H-indole-3-carbonyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 24596654
N-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119508664
N'-(4-ethoxy-3-methoxybenzoyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 46690531
N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 47082631
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119453480
1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 34840164
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55610678
N-[3-(ethylcarbamoyl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46690184
1-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 78832578

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide (CID 46690705) is N'-[2-(1H-indol-3-yl)acetyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide is Cc1ccc(-c2cc(C(=O)NNC(=O)Cc3c[nH]c4ccccc34)c3cnn(C(C)C)c3n2)s1.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The InChIKey is ZBVZIEIQVQCYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S/c1-14(2)31-24-19(13-27-31)18(11-21(28-24)22-9-8-15(3)34-22)25(33)30-29-23(32)10-16-12-26-20-7-5-4-6-17(16)20/h4-9,11-14,26H,10H2,1-3H3,(H,29,32)(H,30,33).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide has a molecular weight of 472.57 g/mol, XLogP of 4.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)acetyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 46690705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).