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

C20H22N4O3 — CID 43055211

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)cnc21
InChIInChI=1S/C20H22N4O3/c1-13(2)24-19-15(11-22-24)9-16(10-21-19)20(25)23(3)12-14-4-5-17-18(8-14)27-7-6-26-17/h4-5,8-11,13H,6-7,12H2,1-3H3
InChIKeyGCMYGCDKAPKGJB-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.06
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 43055211) 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)-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID43055211
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)cnc21
InChIInChI=1S/C20H22N4O3/c1-13(2)24-19-15(11-22-24)9-16(10-21-19)20(25)23(3)12-14-4-5-17-18(8-14)27-7-6-26-17/h4-5,8-11,13H,6-7,12H2,1-3H3
InChIKeyGCMYGCDKAPKGJB-UHFFFAOYSA-N
XLogP3.06
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24641346
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 51296666
N-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 51112770
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17455409
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46679540
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
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 18158188
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-methylsulfonylbenzamide
CID 34763907
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24586586
N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 51132978
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
CID 35701637
2-[cyclopropyl-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]acetic acid
CID 119194915

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 43055211) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-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)-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)n1ncc2cc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)cnc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is GCMYGCDKAPKGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13(2)24-19-15(11-22-24)9-16(10-21-19)20(25)23(3)12-14-4-5-17-18(8-14)27-7-6-26-17/h4-5,8-11,13H,6-7,12H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 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)-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 43055211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).