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

C24H24N4O3S — CID 176833998

IUPACN-[5-(cyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
SMILESCOc1ccccc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(C(=O)C1CCC1)C2
InChIInChI=1S/C24H24N4O3S/c1-14-10-17(16-8-3-4-9-20(16)31-2)18(11-25-14)22(29)27-24-26-19-12-28(13-21(19)32-24)23(30)15-6-5-7-15/h3-4,8-11,15H,5-7,12-13H2,1-2H3,(H,26,27,29)
InChIKeyRMMUEXABYQSMFA-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.42
Rot. Bonds5

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

N-[5-(cyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide (PubChem CID 176833998) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[5-(cyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
PubChem CID176833998
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC NameN-[5-(cyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
SMILESCOc1ccccc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(C(=O)C1CCC1)C2
InChIInChI=1S/C24H24N4O3S/c1-14-10-17(16-8-3-4-9-20(16)31-2)18(11-25-14)22(29)27-24-26-19-12-28(13-21(19)32-24)23(30)15-6-5-7-15/h3-4,8-11,15H,5-7,12-13H2,1-2H3,(H,26,27,29)
InChIKeyRMMUEXABYQSMFA-UHFFFAOYSA-N
XLogP4.42
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-(2-methoxyphenyl)-6-methyl-N-[5-(2-oxaspiro[3.3]heptane-6-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176834091
N-[5-(1-acetylazetidine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 176834293
4-(2-methoxyphenyl)-6-methyl-N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-3-carboxamide
CID 176833592
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-[(3R)-oxane-3-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176832513
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-(3-methoxy-4-pyridinyl)-6-methyl-N-[5-(pyridine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176833851
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(1R,3R)-3-hydroxy-3-(trifluoromethyl)cyclohexanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176833935
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-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-[3-(trifluoromethyl)cyclobutanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176833610
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(3-cyanocyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176833529
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

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-(cyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide (CID 176833998) is N-[5-(cyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-(cyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-(cyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide is COc1ccccc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(C(=O)C1CCC1)C2.
What is the InChIKey of N-[5-(cyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is RMMUEXABYQSMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-14-10-17(16-8-3-4-9-20(16)31-2)18(11-25-14)22(29)27-24-26-19-12-28(13-21(19)32-24)23(30)15-6-5-7-15/h3-4,8-11,15H,5-7,12-13H2,1-2H3,(H,26,27,29).
What are the key properties of N-[5-(cyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?
N-[5-(cyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 176833998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).