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

C26H29N5O2S — CID 46541708

IUPACN-[[4-(dimethylcarbamoyl)phenyl]methyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCc3ccc(C(=O)N(C)C)cc3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C26H29N5O2S/c1-15(2)31-24-22(14-28-31)21(12-23(29-24)20-11-16(3)34-17(20)4)25(32)27-13-18-7-9-19(10-8-18)26(33)30(5)6/h7-12,14-15H,13H2,1-6H3,(H,27,32)
InChIKeyPHAKBWTYFNZYCK-UHFFFAOYSA-N
MW475.62 g/mol
LogP4.99
Rot. Bonds6

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

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46541708) has the molecular formula C26H29N5O2S and a molecular weight of 475.62 g/mol. Its IUPAC name is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46541708
Molecular FormulaC26H29N5O2S
Molecular Weight475.62 g/mol
Exact Mass475.20
IUPAC NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCc3ccc(C(=O)N(C)C)cc3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C26H29N5O2S/c1-15(2)31-24-22(14-28-31)21(12-23(29-24)20-11-16(3)34-17(20)4)25(32)27-13-18-7-9-19(10-8-18)26(33)30(5)6/h7-12,14-15H,13H2,1-6H3,(H,27,32)
InChIKeyPHAKBWTYFNZYCK-UHFFFAOYSA-N
XLogP4.99
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24590843
6-(2,5-dimethylthiophen-3-yl)-N,N-dimethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18149001
N-[4-(diethylcarbamoyl)phenyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16582713
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
6-(2,5-dimethylthiophen-3-yl)-N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 55507314
N-tert-butyl-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55508159
N-(4,5-dihydro-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25474467
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
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 N-[[4-(dimethylcarbamoyl)phenyl]methyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 46541708) is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NCc3ccc(C(=O)N(C)C)cc3)c3cnn(C(C)C)c3n2)c(C)s1.
What is the InChIKey of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PHAKBWTYFNZYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2S/c1-15(2)31-24-22(14-28-31)21(12-23(29-24)20-11-16(3)34-17(20)4)25(32)27-13-18-7-9-19(10-8-18)26(33)30(5)6/h7-12,14-15H,13H2,1-6H3,(H,27,32).
What are the key properties of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 475.62 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46541708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).