N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C20H27N5OS — CID 42953821

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)NCC(c3ccsc3)N(C)C)c12
InChIInChI=1S/C20H27N5OS/c1-12(2)16-9-15(18-13(3)23-25(6)19(18)22-16)20(26)21-10-17(24(4)5)14-7-8-27-11-14/h7-9,11-12,17H,10H2,1-6H3,(H,21,26)
InChIKeyKPKLWAKGFCPNTQ-UHFFFAOYSA-N
MW385.54 g/mol
LogP3.49
Rot. Bonds6

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 42953821) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID42953821
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)NCC(c3ccsc3)N(C)C)c12
InChIInChI=1S/C20H27N5OS/c1-12(2)16-9-15(18-13(3)23-25(6)19(18)22-16)20(26)21-10-17(24(4)5)14-7-8-27-11-14/h7-9,11-12,17H,10H2,1-6H3,(H,21,26)
InChIKeyKPKLWAKGFCPNTQ-UHFFFAOYSA-N
XLogP3.49
TPSA63.05 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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamidopropyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38452878
1,3-dimethyl-N-[3-(N-methylanilino)propyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32613749
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 32635611
N,1,3-trimethyl-N-[(1S)-1-phenylethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32909140
1,3-dimethyl-6-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51338496
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43043352
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
CID 42549056
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52902564
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide
CID 42953753
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
1,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30375860

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 42953821) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCC(c3ccsc3)N(C)C)c12.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KPKLWAKGFCPNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c1-12(2)16-9-15(18-13(3)23-25(6)19(18)22-16)20(26)21-10-17(24(4)5)14-7-8-27-11-14/h7-9,11-12,17H,10H2,1-6H3,(H,21,26).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 385.54 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 42953821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).