4-(5-cyano-2-methoxyphenyl)-N-(5-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide

C23H21N5O4S2 — CID 176833547

IUPAC4-(5-cyano-2-methoxyphenyl)-N-(5-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide
SMILESCOc1ccc(C#N)cc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)C2
InChIInChI=1S/C23H21N5O4S2/c1-13-7-16(17-8-14(9-24)3-6-20(17)32-2)18(10-25-13)22(29)27-23-26-19-11-28(12-21(19)33-23)34(30,31)15-4-5-15/h3,6-8,10,15H,4-5,11-12H2,1-2H3,(H,26,27,29)
InChIKeyOCVPQXLDDCBNMM-UHFFFAOYSA-N
MW495.59 g/mol
LogP3.45
Rot. Bonds6

About 4-(5-cyano-2-methoxyphenyl)-N-(5-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide

4-(5-cyano-2-methoxyphenyl)-N-(5-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide (PubChem CID 176833547) has the molecular formula C23H21N5O4S2 and a molecular weight of 495.59 g/mol. Its IUPAC name is 4-(5-cyano-2-methoxyphenyl)-N-(5-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(5-cyano-2-methoxyphenyl)-N-(5-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide
PubChem CID176833547
Molecular FormulaC23H21N5O4S2
Molecular Weight495.59 g/mol
Exact Mass495.10
IUPAC Name4-(5-cyano-2-methoxyphenyl)-N-(5-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide
SMILESCOc1ccc(C#N)cc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)C2
InChIInChI=1S/C23H21N5O4S2/c1-13-7-16(17-8-14(9-24)3-6-20(17)32-2)18(10-25-13)22(29)27-23-26-19-11-28(12-21(19)33-23)34(30,31)15-4-5-15/h3,6-8,10,15H,4-5,11-12H2,1-2H3,(H,26,27,29)
InChIKeyOCVPQXLDDCBNMM-UHFFFAOYSA-N
XLogP3.45
TPSA125.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(5-cyano-2-methoxyphenyl)-N-(5-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide with MolForge

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Related Compounds

4-(5-cyano-2-methoxyphenyl)-N-(5-cyclobutylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 176832862
4-(5-cyano-2-methoxyphenyl)-N-[5-(cyclopentylsulfamoyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176834401
4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-[(1R,2R)-2-methylcyclobutanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176833484
4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(3-methylcyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176834363
4-(2-methoxyphenyl)-6-methyl-N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-3-carboxamide
CID 176833592
N-[5-[2-chloro-3-(difluoromethyl)benzoyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 176833109
4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(oxolane-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide
CID 176833113
4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide
CID 176833381
4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(pyridine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide
CID 176832751
N-[5-(cyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 176833998
4-(5-cyano-2-methoxyphenyl)-N-[6-(5-cyclopropyl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide
CID 168984906
N-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 176832939

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-methoxyphenyl)-N-(5-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-(5-cyano-2-methoxyphenyl)-N-(5-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide (CID 176833547) is 4-(5-cyano-2-methoxyphenyl)-N-(5-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-(5-cyano-2-methoxyphenyl)-N-(5-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-(5-cyano-2-methoxyphenyl)-N-(5-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide is COc1ccc(C#N)cc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)C2.
What is the InChIKey of 4-(5-cyano-2-methoxyphenyl)-N-(5-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide?
The InChIKey is OCVPQXLDDCBNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S2/c1-13-7-16(17-8-14(9-24)3-6-20(17)32-2)18(10-25-13)22(29)27-23-26-19-11-28(12-21(19)33-23)34(30,31)15-4-5-15/h3,6-8,10,15H,4-5,11-12H2,1-2H3,(H,26,27,29).
What are the key properties of 4-(5-cyano-2-methoxyphenyl)-N-(5-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide?
4-(5-cyano-2-methoxyphenyl)-N-(5-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide has a molecular weight of 495.59 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-2-methoxyphenyl)-N-(5-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 176833547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).