1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H24N6OS — CID 37481021

IUPAC1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCc3ccc(N4CCCC4)nc3)c12
InChIInChI=1S/C23H24N6OS/c1-15-21-17(12-18(19-6-5-11-31-19)26-22(21)28(2)27-15)23(30)25-14-16-7-8-20(24-13-16)29-9-3-4-10-29/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,25,30)
InChIKeyJXWRMRQQWITLKO-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.93
Rot. Bonds5

About 1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 37481021) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID37481021
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC Name1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCc3ccc(N4CCCC4)nc3)c12
InChIInChI=1S/C23H24N6OS/c1-15-21-17(12-18(19-6-5-11-31-19)26-22(21)28(2)27-15)23(30)25-14-16-7-8-20(24-13-16)29-9-3-4-10-29/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,25,30)
InChIKeyJXWRMRQQWITLKO-UHFFFAOYSA-N
XLogP3.93
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-N-[(3-methylphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55558498
1,3-dimethyl-N-[3-(methylamino)propyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119432081
N-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 111428920
N-(1,2-benzoxazol-3-ylmethyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 139006071
1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119512509
1,3-dimethyl-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86903200
1,3-dimethyl-N-(2-pyridin-2-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 39898025
N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110001025
1,3-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55905280
N-(1-ethylpyrazol-4-yl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823072
2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528042
1,3-dimethyl-N-(2-quinolin-8-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36647436

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 37481021) is 1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCc3ccc(N4CCCC4)nc3)c12.
What is the InChIKey of 1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JXWRMRQQWITLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS/c1-15-21-17(12-18(19-6-5-11-31-19)26-22(21)28(2)27-15)23(30)25-14-16-7-8-20(24-13-16)29-9-3-4-10-29/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,25,30).
What are the key properties of 1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 37481021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).