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

C25H23N5OS — CID 16605028

IUPAC6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-quinolin-5-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3cccc4ncccc34)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C25H23N5OS/c1-14(2)30-24-20(13-27-30)19(12-23(28-24)18-11-15(3)32-16(18)4)25(31)29-22-9-5-8-21-17(22)7-6-10-26-21/h5-14H,1-4H3,(H,29,31)
InChIKeyOCBZKAQHBBSEEZ-UHFFFAOYSA-N
MW441.56 g/mol
LogP6.16
Rot. Bonds4

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

6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-quinolin-5-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16605028) has the molecular formula C25H23N5OS and a molecular weight of 441.56 g/mol. Its IUPAC name is 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-quinolin-5-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-quinolin-5-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID16605028
Molecular FormulaC25H23N5OS
Molecular Weight441.56 g/mol
Exact Mass441.16
IUPAC Name6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-quinolin-5-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3cccc4ncccc34)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C25H23N5OS/c1-14(2)30-24-20(13-27-30)19(12-23(28-24)18-11-15(3)32-16(18)4)25(31)29-22-9-5-8-21-17(22)7-6-10-26-21/h5-14H,1-4H3,(H,29,31)
InChIKeyOCBZKAQHBBSEEZ-UHFFFAOYSA-N
XLogP6.16
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,5-dimethylthiophen-3-yl)-N-[2-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16605057
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)-1-propan-2-yl-N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51646868
6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 47835399
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
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-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16582727
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-(2-methylpropyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134006806
6-(2,5-dimethylthiophen-3-yl)-N,N-dimethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18149001
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46541708
N-[2-(benzenesulfonyl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55734280

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-quinolin-5-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-quinolin-5-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 16605028) is 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-quinolin-5-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-quinolin-5-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-quinolin-5-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)Nc3cccc4ncccc34)c3cnn(C(C)C)c3n2)c(C)s1.
What is the InChIKey of 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-quinolin-5-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is OCBZKAQHBBSEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5OS/c1-14(2)30-24-20(13-27-30)19(12-23(28-24)18-11-15(3)32-16(18)4)25(31)29-22-9-5-8-21-17(22)7-6-10-26-21/h5-14H,1-4H3,(H,29,31).
What are the key properties of 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-quinolin-5-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-quinolin-5-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 441.56 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-quinolin-5-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16605028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).