6-(2,5-dimethylthiophen-3-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H30N6O2S — CID 24608998

IUPAC6-(2,5-dimethylthiophen-3-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCc3ccc(N4CCOCC4)nc3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C26H30N6O2S/c1-16(2)32-25-22(15-29-32)21(12-23(30-25)20-11-17(3)35-18(20)4)26(33)28-14-19-5-6-24(27-13-19)31-7-9-34-10-8-31/h5-6,11-13,15-16H,7-10,14H2,1-4H3,(H,28,33)
InChIKeyUEYWAAPZAMETOQ-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.52
Rot. Bonds6

About 6-(2,5-dimethylthiophen-3-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(2,5-dimethylthiophen-3-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24608998) has the molecular formula C26H30N6O2S and a molecular weight of 490.63 g/mol. Its IUPAC name is 6-(2,5-dimethylthiophen-3-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylthiophen-3-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24608998
Molecular FormulaC26H30N6O2S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC Name6-(2,5-dimethylthiophen-3-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCc3ccc(N4CCOCC4)nc3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C26H30N6O2S/c1-16(2)32-25-22(15-29-32)21(12-23(30-25)20-11-17(3)35-18(20)4)26(33)28-14-19-5-6-24(27-13-19)31-7-9-34-10-8-31/h5-6,11-13,15-16H,7-10,14H2,1-4H3,(H,28,33)
InChIKeyUEYWAAPZAMETOQ-UHFFFAOYSA-N
XLogP4.52
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 37274285
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46541708
N-tert-butyl-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55508159
6-(2,5-dimethylthiophen-3-yl)-N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55555395
6-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78868896
6-(2,5-dimethylthiophen-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24622368
6-(2,5-dimethylthiophen-3-yl)-N-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26002280
6-(2,5-dimethylthiophen-3-yl)-N-[2-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16605057
N-[2-(benzenesulfonyl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55734280
6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134006806
[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 26026281
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16605044

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 24608998) is 6-(2,5-dimethylthiophen-3-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylthiophen-3-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylthiophen-3-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NCc3ccc(N4CCOCC4)nc3)c3cnn(C(C)C)c3n2)c(C)s1.
What is the InChIKey of 6-(2,5-dimethylthiophen-3-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is UEYWAAPZAMETOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2S/c1-16(2)32-25-22(15-29-32)21(12-23(30-25)20-11-17(3)35-18(20)4)26(33)28-14-19-5-6-24(27-13-19)31-7-9-34-10-8-31/h5-6,11-13,15-16H,7-10,14H2,1-4H3,(H,28,33).
What are the key properties of 6-(2,5-dimethylthiophen-3-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylthiophen-3-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylthiophen-3-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24608998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).