N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C20H22N4O3 — CID 17455409

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22N4O3/c1-12(2)24-19-15(11-22-24)9-16(13(3)23-19)20(25)21-10-14-4-5-17-18(8-14)27-7-6-26-17/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,21,25)
InChIKeyDCPPRQLUAYWABV-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.02
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 17455409) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID17455409
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22N4O3/c1-12(2)24-19-15(11-22-24)9-16(13(3)23-19)20(25)21-10-14-4-5-17-18(8-14)27-7-6-26-17/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,21,25)
InChIKeyDCPPRQLUAYWABV-UHFFFAOYSA-N
XLogP3.02
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 38569041
6-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 35805236
4-[2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]ethyl]benzoic acid
CID 120512999
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 43055211
6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119429541
6-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 9209227
3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]-2-phenylpropanoic acid
CID 120528856
N-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24617983
N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 5154058
6-methyl-1-propan-2-yl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 41413354
N-[3-(N-ethylanilino)propyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 35805438
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-3-carboxamide
CID 51283562

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 17455409) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is DCPPRQLUAYWABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12(2)24-19-15(11-22-24)9-16(13(3)23-19)20(25)21-10-14-4-5-17-18(8-14)27-7-6-26-17/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,21,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 17455409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).