N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H30N4O3 — CID 25468173

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)N(Cc3ccc4c(c3)OCO4)C3CCCC3)c12
InChIInChI=1S/C25H30N4O3/c1-15(2)20-12-19(23-16(3)27-28(4)24(23)26-20)25(30)29(18-7-5-6-8-18)13-17-9-10-21-22(11-17)32-14-31-21/h9-12,15,18H,5-8,13-14H2,1-4H3
InChIKeyFLNPQTXDUZUALS-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.71
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 25468173) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID25468173
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)N(Cc3ccc4c(c3)OCO4)C3CCCC3)c12
InChIInChI=1S/C25H30N4O3/c1-15(2)20-12-19(23-16(3)27-28(4)24(23)26-20)25(30)29(18-7-5-6-8-18)13-17-9-10-21-22(11-17)32-14-31-21/h9-12,15,18H,5-8,13-14H2,1-4H3
InChIKeyFLNPQTXDUZUALS-UHFFFAOYSA-N
XLogP4.71
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 30934258
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18190284
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylpyridine-4-carboxamide
CID 8894049
N-[(3-chlorophenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46537183
N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 98786905
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
CID 43030900
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 43043093
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35701623
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide
CID 18190249
(E)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 18192635
4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide
CID 119317902
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide
CID 42724637

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 25468173) is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C(C)C)cc(C(=O)N(Cc3ccc4c(c3)OCO4)C3CCCC3)c12.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FLNPQTXDUZUALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-15(2)20-12-19(23-16(3)27-28(4)24(23)26-20)25(30)29(18-7-5-6-8-18)13-17-9-10-21-22(11-17)32-14-31-21/h9-12,15,18H,5-8,13-14H2,1-4H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 25468173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).