[5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-2-yl]-(3-methylpyrrolidin-1-yl)methanone

C19H21ClN4OS — CID 121479821

IUPAC[5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-2-yl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCc1nc2sc(C(=O)N3CCC(C)C3)c(-c3cnn(C)c3)c2c(C)c1Cl
InChIInChI=1S/C19H21ClN4OS/c1-10-5-6-24(8-10)19(25)17-15(13-7-21-23(4)9-13)14-11(2)16(20)12(3)22-18(14)26-17/h7,9-10H,5-6,8H2,1-4H3
InChIKeyLOUAASYCTSIYTO-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.45
Rot. Bonds2

About [5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-2-yl]-(3-methylpyrrolidin-1-yl)methanone

[5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-2-yl]-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 121479821) has the molecular formula C19H21ClN4OS and a molecular weight of 388.92 g/mol. Its IUPAC name is [5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-2-yl]-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-2-yl]-(3-methylpyrrolidin-1-yl)methanone
PubChem CID121479821
Molecular FormulaC19H21ClN4OS
Molecular Weight388.92 g/mol
Exact Mass388.11
IUPAC Name[5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-2-yl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCc1nc2sc(C(=O)N3CCC(C)C3)c(-c3cnn(C)c3)c2c(C)c1Cl
InChIInChI=1S/C19H21ClN4OS/c1-10-5-6-24(8-10)19(25)17-15(13-7-21-23(4)9-13)14-11(2)16(20)12(3)22-18(14)26-17/h7,9-10H,5-6,8H2,1-4H3
InChIKeyLOUAASYCTSIYTO-UHFFFAOYSA-N
XLogP4.45
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-2-yl]-(3-methylpyrrolidin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

N-(2-adamantyl)-5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 121472182
[3-(methylamino)piperidin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 119488915
3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 53382542
(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(4-methylpiperidin-1-yl)methanone
CID 18156519
[2-(5-chlorothiophen-2-yl)morpholin-4-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
CID 139011742
6-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175351
(3S,4S)-1-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951451
5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 121479860
4,6-dimethyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 123338732
(3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 107112894
1-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanone
CID 61059598
(3-methylpyrrolidin-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 170767853

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-2-yl]-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-2-yl]-(3-methylpyrrolidin-1-yl)methanone (CID 121479821) is [5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-2-yl]-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-2-yl]-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-2-yl]-(3-methylpyrrolidin-1-yl)methanone is Cc1nc2sc(C(=O)N3CCC(C)C3)c(-c3cnn(C)c3)c2c(C)c1Cl.
What is the InChIKey of [5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-2-yl]-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is LOUAASYCTSIYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4OS/c1-10-5-6-24(8-10)19(25)17-15(13-7-21-23(4)9-13)14-11(2)16(20)12(3)22-18(14)26-17/h7,9-10H,5-6,8H2,1-4H3.
What are the key properties of [5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-2-yl]-(3-methylpyrrolidin-1-yl)methanone?
[5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-2-yl]-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 388.92 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-2-yl]-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 121479821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).