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

C23H22N4O3S — CID 35701623

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)c12
InChIInChI=1S/C23H22N4O3S/c1-14-21-16(12-17(20-5-4-10-31-20)24-22(21)27(3)25-14)23(28)26(2)13-15-6-7-18-19(11-15)30-9-8-29-18/h4-7,10-12H,8-9,13H2,1-3H3
InChIKeyYUHMNWZEGMPTGR-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.05
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 35701623) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID35701623
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)c12
InChIInChI=1S/C23H22N4O3S/c1-14-21-16(12-17(20-5-4-10-31-20)24-22(21)27(3)25-14)23(28)26(2)13-15-6-7-18-19(11-15)30-9-8-29-18/h4-7,10-12H,8-9,13H2,1-3H3
InChIKeyYUHMNWZEGMPTGR-UHFFFAOYSA-N
XLogP4.05
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,1,3-trimethyl-N-(2-phenoxyethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55522947
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55484093
N-ethyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 47790099
3-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]propanoic acid
CID 120516645
1,3-dimethyl-N-phenyl-N-prop-2-enyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55551064
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 18226295
ethyl 1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43021003
N,1,3-trimethyl-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55502784
1,3-dimethyl-N-[(3-methylphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55558498
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 71902145
1,3-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55905280
N,1,3-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26021949

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 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) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)c12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is YUHMNWZEGMPTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-14-21-16(12-17(20-5-4-10-31-20)24-22(21)27(3)25-14)23(28)26(2)13-15-6-7-18-19(11-15)30-9-8-29-18/h4-7,10-12H,8-9,13H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 35701623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).