N,6-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C17H20N4OS — CID 43036683

IUPACN,6-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccsc2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C17H20N4OS/c1-11(2)21-16-15(8-18-21)14(7-12(3)19-16)17(22)20(4)9-13-5-6-23-10-13/h5-8,10-11H,9H2,1-4H3
InChIKeyIPTCPEARDXZWNI-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.65
Rot. Bonds4

About N,6-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

N,6-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 43036683) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N,6-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID43036683
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN,6-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccsc2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C17H20N4OS/c1-11(2)21-16-15(8-18-21)14(7-12(3)19-16)17(22)20(4)9-13-5-6-23-10-13/h5-8,10-11H,9H2,1-4H3
InChIKeyIPTCPEARDXZWNI-UHFFFAOYSA-N
XLogP3.65
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 120524365
4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119346929
N,6-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 86833507
N-benzyl-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27665854
N,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43054671
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31849649
N-[(3-chlorophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16605036
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
6-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78791765
N-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30085573
N,3,6-trimethyl-N-(thiophen-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18163513

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N,6-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 43036683) is N,6-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N(C)Cc2ccsc2)c2cnn(C(C)C)c2n1.
What is the InChIKey of N,6-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is IPTCPEARDXZWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-11(2)21-16-15(8-18-21)14(7-12(3)19-16)17(22)20(4)9-13-5-6-23-10-13/h5-8,10-11H,9H2,1-4H3.
What are the key properties of N,6-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
N,6-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 43036683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).