N-(2,6-dimethoxy-3-pyridinyl)-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide

C19H23N5O3S — CID 3457612

IUPACN-(2,6-dimethoxy-3-pyridinyl)-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3c(c(C)nn3C)c2SC(C)C)c(OC)n1
InChIInChI=1S/C19H23N5O3S/c1-10(2)28-16-12(9-20-17-15(16)11(3)23-24(17)4)18(25)21-13-7-8-14(26-5)22-19(13)27-6/h7-10H,1-6H3,(H,21,25)
InChIKeyWWMCMOCBQXEZPM-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.44
Rot. Bonds6

About N-(2,6-dimethoxy-3-pyridinyl)-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide

N-(2,6-dimethoxy-3-pyridinyl)-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 3457612) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(2,6-dimethoxy-3-pyridinyl)-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethoxy-3-pyridinyl)-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID3457612
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC NameN-(2,6-dimethoxy-3-pyridinyl)-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3c(c(C)nn3C)c2SC(C)C)c(OC)n1
InChIInChI=1S/C19H23N5O3S/c1-10(2)28-16-12(9-20-17-15(16)11(3)23-24(17)4)18(25)21-13-7-8-14(26-5)22-19(13)27-6/h7-10H,1-6H3,(H,21,25)
InChIKeyWWMCMOCBQXEZPM-UHFFFAOYSA-N
XLogP3.44
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 3457612) is N-(2,6-dimethoxy-3-pyridinyl)-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(2,6-dimethoxy-3-pyridinyl)-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(2,6-dimethoxy-3-pyridinyl)-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide is COc1ccc(NC(=O)c2cnc3c(c(C)nn3C)c2SC(C)C)c(OC)n1.
What is the InChIKey of N-(2,6-dimethoxy-3-pyridinyl)-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is WWMCMOCBQXEZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-10(2)28-16-12(9-20-17-15(16)11(3)23-24(17)4)18(25)21-13-7-8-14(26-5)22-19(13)27-6/h7-10H,1-6H3,(H,21,25).
What are the key properties of N-(2,6-dimethoxy-3-pyridinyl)-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-(2,6-dimethoxy-3-pyridinyl)-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxy-3-pyridinyl)-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 3457612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).