7-[(3aR,7aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2,4-dimethyl-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile

C24H28N6OS — CID 169123245

IUPAC7-[(3aR,7aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2,4-dimethyl-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile
SMILESCc1nc2c(N3CC[C@H]4[C@H](CCN4c4cccc(C(C)C)n4)C3)c(C#N)c(=O)n(C)c2s1
InChIInChI=1S/C24H28N6OS/c1-14(2)18-6-5-7-20(27-18)30-11-8-16-13-29(10-9-19(16)30)22-17(12-25)23(31)28(4)24-21(22)26-15(3)32-24/h5-7,14,16,19H,8-11,13H2,1-4H3/t16-,19+/m1/s1
InChIKeyXSJYORVQADBOFD-APWZRJJASA-N
MW448.60 g/mol
LogP3.80
Rot. Bonds3

About 7-[(3aR,7aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2,4-dimethyl-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile

7-[(3aR,7aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2,4-dimethyl-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile (PubChem CID 169123245) has the molecular formula C24H28N6OS and a molecular weight of 448.60 g/mol. Its IUPAC name is 7-[(3aR,7aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2,4-dimethyl-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name7-[(3aR,7aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2,4-dimethyl-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile
PubChem CID169123245
Molecular FormulaC24H28N6OS
Molecular Weight448.60 g/mol
Exact Mass448.20
IUPAC Name7-[(3aR,7aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2,4-dimethyl-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile
SMILESCc1nc2c(N3CC[C@H]4[C@H](CCN4c4cccc(C(C)C)n4)C3)c(C#N)c(=O)n(C)c2s1
InChIInChI=1S/C24H28N6OS/c1-14(2)18-6-5-7-20(27-18)30-11-8-16-13-29(10-9-19(16)30)22-17(12-25)23(31)28(4)24-21(22)26-15(3)32-24/h5-7,14,16,19H,8-11,13H2,1-4H3/t16-,19+/m1/s1
InChIKeyXSJYORVQADBOFD-APWZRJJASA-N
XLogP3.80
TPSA78.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.60
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[(3aR,7aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2,4-dimethyl-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile with MolForge

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Related Compounds

7-[(3aR,7aS)-1-(6-ethoxy-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2,4-dimethyl-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile
CID 169123005
7-[(3aR,7aS)-1-(6-iodo-3-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2,4-dimethyl-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile
CID 169123182
7-[(3R,4S)-4-[2-methoxy-4-(trifluoromethoxy)anilino]-3-methylpiperidin-1-yl]-2,4-dimethyl-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile
CID 169123527
(3aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 170682158
4-[(3aR,6aR)-2-(4-fluorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 169123482
6-isocyano-1-methyl-4-[(3R)-3-methyl-4-(1-pyridin-2-ylethyl)piperazin-1-yl]-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 147457995
2-(3-fluoropyrrolidin-1-yl)-6-propan-2-ylpyridine
CID 129154786
2,4-dimethyl-5-oxo-7-[5-(trifluoromethoxy)spiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile
CID 169122883
6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile
CID 81198880
8-[(3R)-4-[(3,5-dimethylphenyl)methyl]-3-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 146529826
6-bromo-4-[4-[(2-hydroxy-6-methylphenyl)methyl]piperazin-1-yl]-1-methyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 151079562
propan-2-yl 1-[bis(4-fluorophenyl)methyl]-4-(3,6-dicyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-2-carboxylate
CID 146466219

Frequently Asked Questions

What is the IUPAC name of 7-[(3aR,7aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2,4-dimethyl-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile?
The IUPAC name of 7-[(3aR,7aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2,4-dimethyl-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile (CID 169123245) is 7-[(3aR,7aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2,4-dimethyl-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile.
What is the SMILES notation for 7-[(3aR,7aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2,4-dimethyl-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile?
The canonical SMILES for 7-[(3aR,7aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2,4-dimethyl-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile is Cc1nc2c(N3CC[C@H]4[C@H](CCN4c4cccc(C(C)C)n4)C3)c(C#N)c(=O)n(C)c2s1.
What is the InChIKey of 7-[(3aR,7aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2,4-dimethyl-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile?
The InChIKey is XSJYORVQADBOFD-APWZRJJASA-N. The full InChI is InChI=1S/C24H28N6OS/c1-14(2)18-6-5-7-20(27-18)30-11-8-16-13-29(10-9-19(16)30)22-17(12-25)23(31)28(4)24-21(22)26-15(3)32-24/h5-7,14,16,19H,8-11,13H2,1-4H3/t16-,19+/m1/s1.
What are the key properties of 7-[(3aR,7aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2,4-dimethyl-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile?
7-[(3aR,7aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2,4-dimethyl-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile has a molecular weight of 448.60 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3aR,7aS)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2,4-dimethyl-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonitrile is sourced from PubChem (CID 169123245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).