N-benzyl-1-tert-butyl-N-(cyanomethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H29N5O — CID 55864610

IUPACN-benzyl-1-tert-butyl-N-(cyanomethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(CC#N)Cc3ccccc3)c12
InChIInChI=1S/C24H29N5O/c1-16(2)20-14-19(21-17(3)27-29(22(21)26-20)24(4,5)6)23(30)28(13-12-25)15-18-10-8-7-9-11-18/h7-11,14,16H,13,15H2,1-6H3
InChIKeyKOWUHWHIWCDNMC-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.78
Rot. Bonds5

About N-benzyl-1-tert-butyl-N-(cyanomethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-benzyl-1-tert-butyl-N-(cyanomethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55864610) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-benzyl-1-tert-butyl-N-(cyanomethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-tert-butyl-N-(cyanomethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55864610
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-benzyl-1-tert-butyl-N-(cyanomethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(CC#N)Cc3ccccc3)c12
InChIInChI=1S/C24H29N5O/c1-16(2)20-14-19(21-17(3)27-29(22(21)26-20)24(4,5)6)23(30)28(13-12-25)15-18-10-8-7-9-11-18/h7-11,14,16H,13,15H2,1-6H3
InChIKeyKOWUHWHIWCDNMC-UHFFFAOYSA-N
XLogP4.78
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119628648
1-tert-butyl-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 109388394
N-benzyl-2-[4-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]acetamide
CID 55791061
1-tert-butyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55801155
6-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoic acid
CID 119352167
(2S)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119359811
(2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119368591
N-[[3-(butanoylamino)phenyl]methyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55782933
1-tert-butyl-N-[2-(ethylamino)ethyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119507495
methyl 3-[benzyl-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate
CID 55758927
1-tert-butyl-3-methyl-6-propan-2-yl-N-quinolin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55756234
1-tert-butyl-N-(3-cyanothiophen-2-yl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 47044847

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-tert-butyl-N-(cyanomethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-benzyl-1-tert-butyl-N-(cyanomethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55864610) is N-benzyl-1-tert-butyl-N-(cyanomethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-tert-butyl-N-(cyanomethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-1-tert-butyl-N-(cyanomethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(CC#N)Cc3ccccc3)c12.
What is the InChIKey of N-benzyl-1-tert-butyl-N-(cyanomethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KOWUHWHIWCDNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-16(2)20-14-19(21-17(3)27-29(22(21)26-20)24(4,5)6)23(30)28(13-12-25)15-18-10-8-7-9-11-18/h7-11,14,16H,13,15H2,1-6H3.
What are the key properties of N-benzyl-1-tert-butyl-N-(cyanomethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-benzyl-1-tert-butyl-N-(cyanomethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-tert-butyl-N-(cyanomethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55864610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).