N-[2-(2H-benzotriazole-5-carbonylamino)-2-methylpropyl]-1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxamide

C23H26N8O2 — CID 167784399

IUPACN-[2-(2H-benzotriazole-5-carbonylamino)-2-methylpropyl]-1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)(CNC(=O)c1cnc2c(cnn2C2CCCC2)c1)NC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C23H26N8O2/c1-23(2,27-22(33)14-7-8-18-19(10-14)29-30-28-18)13-25-21(32)16-9-15-12-26-31(20(15)24-11-16)17-5-3-4-6-17/h7-12,17H,3-6,13H2,1-2H3,(H,25,32)(H,27,33)(H,28,29,30)
InChIKeyMTEPNXWFFWHUFO-UHFFFAOYSA-N
MW446.52 g/mol
LogP2.76
Rot. Bonds6

About N-[2-(2H-benzotriazole-5-carbonylamino)-2-methylpropyl]-1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[2-(2H-benzotriazole-5-carbonylamino)-2-methylpropyl]-1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 167784399) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is N-[2-(2H-benzotriazole-5-carbonylamino)-2-methylpropyl]-1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2H-benzotriazole-5-carbonylamino)-2-methylpropyl]-1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID167784399
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC NameN-[2-(2H-benzotriazole-5-carbonylamino)-2-methylpropyl]-1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)(CNC(=O)c1cnc2c(cnn2C2CCCC2)c1)NC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C23H26N8O2/c1-23(2,27-22(33)14-7-8-18-19(10-14)29-30-28-18)13-25-21(32)16-9-15-12-26-31(20(15)24-11-16)17-5-3-4-6-17/h7-12,17H,3-6,13H2,1-2H3,(H,25,32)(H,27,33)(H,28,29,30)
InChIKeyMTEPNXWFFWHUFO-UHFFFAOYSA-N
XLogP2.76
TPSA130.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclopentyl-N-[3-[(2,6-dimethylbenzoyl)amino]-2-hydroxypropyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 166394006
N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide
CID 65114221
(1-cyclopentylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 71880992
N-(5-chloro-2-pyridinyl)-1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 51101378
N-tert-butyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 166220665
1-(azepan-1-yl)-2-[4-(1-cyclopentylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone
CID 56829217
1-cyclohexyl-N-[2-(2-fluorophenyl)-2-methylpropyl]benzotriazole-5-carboxamide
CID 46952052
N-[(3-cyclopropylimidazol-4-yl)methyl]-2H-benzotriazole-5-carboxamide
CID 91773775
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2H-benzotriazole-5-carboxamide
CID 72893865
N-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 166220823
N-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 109381046
N-[[methyl(pyrrolidin-1-yl)amino]methyl]-2H-benzotriazole-5-carboxamide
CID 22900851

Frequently Asked Questions

What is the IUPAC name of N-[2-(2H-benzotriazole-5-carbonylamino)-2-methylpropyl]-1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-(2H-benzotriazole-5-carbonylamino)-2-methylpropyl]-1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 167784399) is N-[2-(2H-benzotriazole-5-carbonylamino)-2-methylpropyl]-1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-(2H-benzotriazole-5-carbonylamino)-2-methylpropyl]-1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-(2H-benzotriazole-5-carbonylamino)-2-methylpropyl]-1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)(CNC(=O)c1cnc2c(cnn2C2CCCC2)c1)NC(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[2-(2H-benzotriazole-5-carbonylamino)-2-methylpropyl]-1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is MTEPNXWFFWHUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-23(2,27-22(33)14-7-8-18-19(10-14)29-30-28-18)13-25-21(32)16-9-15-12-26-31(20(15)24-11-16)17-5-3-4-6-17/h7-12,17H,3-6,13H2,1-2H3,(H,25,32)(H,27,33)(H,28,29,30).
What are the key properties of N-[2-(2H-benzotriazole-5-carbonylamino)-2-methylpropyl]-1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[2-(2H-benzotriazole-5-carbonylamino)-2-methylpropyl]-1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2H-benzotriazole-5-carbonylamino)-2-methylpropyl]-1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 167784399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).