N-benzyl-2-[4-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]acetamide

C28H38N6O2 — CID 55791061

IUPACN-benzyl-2-[4-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]acetamide
SMILESCc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)c12
InChIInChI=1S/C28H38N6O2/c1-19(2)23-16-22(25-20(3)31-34(26(25)30-23)28(4,5)6)27(36)33-14-12-32(13-15-33)18-24(35)29-17-21-10-8-7-9-11-21/h7-11,16,19H,12-15,17-18H2,1-6H3,(H,29,35)
InChIKeyTUOZEMIWZPGFJF-UHFFFAOYSA-N
MW490.65 g/mol
LogP3.69
Rot. Bonds6

About N-benzyl-2-[4-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]acetamide

N-benzyl-2-[4-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]acetamide (PubChem CID 55791061) has the molecular formula C28H38N6O2 and a molecular weight of 490.65 g/mol. Its IUPAC name is N-benzyl-2-[4-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]acetamide
PubChem CID55791061
Molecular FormulaC28H38N6O2
Molecular Weight490.65 g/mol
Exact Mass490.31
IUPAC NameN-benzyl-2-[4-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]acetamide
SMILESCc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)c12
InChIInChI=1S/C28H38N6O2/c1-19(2)23-16-22(25-20(3)31-34(26(25)30-23)28(4,5)6)27(36)33-14-12-32(13-15-33)18-24(35)29-17-21-10-8-7-9-11-21/h7-11,16,19H,12-15,17-18H2,1-6H3,(H,29,35)
InChIKeyTUOZEMIWZPGFJF-UHFFFAOYSA-N
XLogP3.69
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 55754944
N-[[3-(butanoylamino)phenyl]methyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55782933
N-benzyl-2-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide
CID 30458644
N-(2-amino-2-methylpropyl)-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119628648
(3S,4S)-1-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120952357
(3S)-1-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 120514222
1-tert-butyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55801155
1-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55973835
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 120805300
4-[4-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,4-diazepan-1-yl]benzonitrile
CID 55840032
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 120815505
2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
CID 119946370

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of 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) is N-benzyl-2-[4-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]acetamide is Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)c12.
What is the InChIKey of N-benzyl-2-[4-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is TUOZEMIWZPGFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O2/c1-19(2)23-16-22(25-20(3)31-34(26(25)30-23)28(4,5)6)27(36)33-14-12-32(13-15-33)18-24(35)29-17-21-10-8-7-9-11-21/h7-11,16,19H,12-15,17-18H2,1-6H3,(H,29,35).
What are the key properties of N-benzyl-2-[4-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]acetamide?
N-benzyl-2-[4-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 490.65 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55791061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).