[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C25H26N4OS — CID 16604991

IUPAC[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cc(-c2cc(C(=O)N3c4ccccc4CC3C)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C25H26N4OS/c1-14(2)29-24-21(13-26-29)20(12-22(27-24)19-11-16(4)31-17(19)5)25(30)28-15(3)10-18-8-6-7-9-23(18)28/h6-9,11-15H,10H2,1-5H3
InChIKeyWWNCEPQTGJBBNB-UHFFFAOYSA-N
MW430.58 g/mol
LogP5.95
Rot. Bonds3

About [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 16604991) has the molecular formula C25H26N4OS and a molecular weight of 430.58 g/mol. Its IUPAC name is [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID16604991
Molecular FormulaC25H26N4OS
Molecular Weight430.58 g/mol
Exact Mass430.18
IUPAC Name[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cc(-c2cc(C(=O)N3c4ccccc4CC3C)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C25H26N4OS/c1-14(2)29-24-21(13-26-29)20(12-22(27-24)19-11-16(4)31-17(19)5)25(30)28-15(3)10-18-8-6-7-9-23(18)28/h6-9,11-15H,10H2,1-5H3
InChIKeyWWNCEPQTGJBBNB-UHFFFAOYSA-N
XLogP5.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.58
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone with MolForge

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Related Compounds

[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
[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 24606529
6-(2,5-dimethylthiophen-3-yl)-N,N-dimethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18149001
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)-N-[2-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16605057
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
ethyl 1-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate
CID 26022213
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-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78868896
[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 24625246
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
6-(2,5-dimethylthiophen-3-yl)-N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 55507314

Frequently Asked Questions

What is the IUPAC name of [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 16604991) is [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is Cc1cc(-c2cc(C(=O)N3c4ccccc4CC3C)c3cnn(C(C)C)c3n2)c(C)s1.
What is the InChIKey of [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is WWNCEPQTGJBBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4OS/c1-14(2)29-24-21(13-26-29)20(12-22(27-24)19-11-16(4)31-17(19)5)25(30)28-15(3)10-18-8-6-7-9-23(18)28/h6-9,11-15H,10H2,1-5H3.
What are the key properties of [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 430.58 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 16604991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).