3-tert-butylimino-2-hydrazinylidene-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]propanamide

C26H30N8O — CID 174067421

IUPAC3-tert-butylimino-2-hydrazinylidene-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]propanamide
SMILESCc1cc(-c2cc(-c3cnn(C)c3)cn3nccc23)ccc1CNC(=O)C(/C=N/C(C)(C)C)=NN
InChIInChI=1S/C26H30N8O/c1-17-10-18(6-7-19(17)12-28-25(35)23(32-27)14-29-26(2,3)4)22-11-20(21-13-31-33(5)15-21)16-34-24(22)8-9-30-34/h6-11,13-16H,12,27H2,1-5H3,(H,28,35)/b29-14+,32-23?
InChIKeyUQMAGFZQXIFESZ-BNVAMXOVSA-N
MW470.58 g/mol
LogP3.51
Rot. Bonds6

About 3-tert-butylimino-2-hydrazinylidene-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]propanamide

3-tert-butylimino-2-hydrazinylidene-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]propanamide (PubChem CID 174067421) has the molecular formula C26H30N8O and a molecular weight of 470.58 g/mol. Its IUPAC name is 3-tert-butylimino-2-hydrazinylidene-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-tert-butylimino-2-hydrazinylidene-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]propanamide
PubChem CID174067421
Molecular FormulaC26H30N8O
Molecular Weight470.58 g/mol
Exact Mass470.25
IUPAC Name3-tert-butylimino-2-hydrazinylidene-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]propanamide
SMILESCc1cc(-c2cc(-c3cnn(C)c3)cn3nccc23)ccc1CNC(=O)C(/C=N/C(C)(C)C)=NN
InChIInChI=1S/C26H30N8O/c1-17-10-18(6-7-19(17)12-28-25(35)23(32-27)14-29-26(2,3)4)22-11-20(21-13-31-33(5)15-21)16-34-24(22)8-9-30-34/h6-11,13-16H,12,27H2,1-5H3,(H,28,35)/b29-14+,32-23?
InChIKeyUQMAGFZQXIFESZ-BNVAMXOVSA-N
XLogP3.51
TPSA114.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrazole-3-carboxamide
CID 168885315
N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxamide
CID 168885070
2-tert-butyl-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]tetrazole-5-carboxamide
CID 168885283
3-tert-butyl-N-[[2-methoxy-4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;hydrochloride
CID 176883681
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]acetamide
CID 176654473
3-tert-butyl-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide
CID 123538553
6-(1-methylpyrazol-4-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 168886506
N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 86925542
5-tert-butyl-N-[[2-methyl-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 168885296
1-[(1S,5R)-6-[[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one
CID 167070882
methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate
CID 118045392
6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 141364751

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylimino-2-hydrazinylidene-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]propanamide?
The IUPAC name of 3-tert-butylimino-2-hydrazinylidene-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]propanamide (CID 174067421) is 3-tert-butylimino-2-hydrazinylidene-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-tert-butylimino-2-hydrazinylidene-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]propanamide?
The canonical SMILES for 3-tert-butylimino-2-hydrazinylidene-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]propanamide is Cc1cc(-c2cc(-c3cnn(C)c3)cn3nccc23)ccc1CNC(=O)C(/C=N/C(C)(C)C)=NN.
What is the InChIKey of 3-tert-butylimino-2-hydrazinylidene-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]propanamide?
The InChIKey is UQMAGFZQXIFESZ-BNVAMXOVSA-N. The full InChI is InChI=1S/C26H30N8O/c1-17-10-18(6-7-19(17)12-28-25(35)23(32-27)14-29-26(2,3)4)22-11-20(21-13-31-33(5)15-21)16-34-24(22)8-9-30-34/h6-11,13-16H,12,27H2,1-5H3,(H,28,35)/b29-14+,32-23?.
What are the key properties of 3-tert-butylimino-2-hydrazinylidene-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]propanamide?
3-tert-butylimino-2-hydrazinylidene-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]propanamide has a molecular weight of 470.58 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylimino-2-hydrazinylidene-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]propanamide is sourced from PubChem (CID 174067421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).