N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C16H20N6O2S — CID 52902564

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCc1nnc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)s1
InChIInChI=1S/C16H20N6O2S/c1-8(2)11-6-10(13-9(3)21-22(4)14(13)17-11)15(23)18-16-20-19-12(25-16)7-24-5/h6,8H,7H2,1-5H3,(H,18,20,23)
InChIKeyKRQFNUVDJUCWMP-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.65
Rot. Bonds5

About N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 52902564) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID52902564
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCc1nnc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)s1
InChIInChI=1S/C16H20N6O2S/c1-8(2)11-6-10(13-9(3)21-22(4)14(13)17-11)15(23)18-16-20-19-12(25-16)7-24-5/h6,8H,7H2,1-5H3,(H,18,20,23)
InChIKeyKRQFNUVDJUCWMP-UHFFFAOYSA-N
XLogP2.65
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 52902564) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COCc1nnc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KRQFNUVDJUCWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-8(2)11-6-10(13-9(3)21-22(4)14(13)17-11)15(23)18-16-20-19-12(25-16)7-24-5/h6,8H,7H2,1-5H3,(H,18,20,23).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 52902564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).