N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C20H27N5OS — CID 119652546

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)N(C)CC(C)(C)CN)cc(-c3cccs3)nc21
InChIInChI=1S/C20H27N5OS/c1-13(2)25-18-15(10-22-25)14(9-16(23-18)17-7-6-8-27-17)19(26)24(5)12-20(3,4)11-21/h6-10,13H,11-12,21H2,1-5H3
InChIKeyWOSSIZAUOPJBKC-UHFFFAOYSA-N
MW385.54 g/mol
LogP3.80
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119652546) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID119652546
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)N(C)CC(C)(C)CN)cc(-c3cccs3)nc21
InChIInChI=1S/C20H27N5OS/c1-13(2)25-18-15(10-22-25)14(9-16(23-18)17-7-6-8-27-17)19(26)24(5)12-20(3,4)11-21/h6-10,13H,11-12,21H2,1-5H3
InChIKeyWOSSIZAUOPJBKC-UHFFFAOYSA-N
XLogP3.80
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46674063
N-(1-amino-2-methylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119521467
N-(cyclohexylmethyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55563926
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35745108
N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86914630
N-(1-amino-2-cyclopropylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119572357
N-(2-hydroxyethyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78832388
N-benzyl-N-butan-2-yl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18287987
N-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120654897
methyl 3-[benzyl-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate
CID 55513093
3-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119347907
[2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 119631004

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 119652546) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)N(C)CC(C)(C)CN)cc(-c3cccs3)nc21.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WOSSIZAUOPJBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c1-13(2)25-18-15(10-22-25)14(9-16(23-18)17-7-6-8-27-17)19(26)24(5)12-20(3,4)11-21/h6-10,13H,11-12,21H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 385.54 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119652546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).