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

C24H20N6O3S — CID 176833851

IUPAC4-(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
SMILESCOc1cnccc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(C(=O)c1ccccn1)C2
InChIInChI=1S/C24H20N6O3S/c1-14-9-16(15-6-8-25-11-20(15)33-2)17(10-27-14)22(31)29-24-28-19-12-30(13-21(19)34-24)23(32)18-5-3-4-7-26-18/h3-11H,12-13H2,1-2H3,(H,28,29,31)
InChIKeyFTTGAHYXDCLNDW-UHFFFAOYSA-N
MW472.53 g/mol
LogP3.72
Rot. Bonds5

About 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

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 (PubChem CID 176833851) has the molecular formula C24H20N6O3S and a molecular weight of 472.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID176833851
Molecular FormulaC24H20N6O3S
Molecular Weight472.53 g/mol
Exact Mass472.13
IUPAC Name4-(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
SMILESCOc1cnccc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(C(=O)c1ccccn1)C2
InChIInChI=1S/C24H20N6O3S/c1-14-9-16(15-6-8-25-11-20(15)33-2)17(10-27-14)22(31)29-24-28-19-12-30(13-21(19)34-24)23(32)18-5-3-4-7-26-18/h3-11H,12-13H2,1-2H3,(H,28,29,31)
InChIKeyFTTGAHYXDCLNDW-UHFFFAOYSA-N
XLogP3.72
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-(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-[5-(trifluoromethoxy)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176834359
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[2-(difluoromethyl)pyrimidine-4-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176833817
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
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[5-(difluoromethyl)-4-methylpyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176832933
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[3-(difluoromethoxy)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176832932
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-chloro-5-methoxy-4-pyridinyl)-N-[5-(5-methoxy-2-methylpyrimidine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176834352
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(5-chloro-3-methylpyrazine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176833203
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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cnccc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(C(=O)c1ccccn1)C2.
What is the InChIKey of 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?
The InChIKey is FTTGAHYXDCLNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O3S/c1-14-9-16(15-6-8-25-11-20(15)33-2)17(10-27-14)22(31)29-24-28-19-12-30(13-21(19)34-24)23(32)18-5-3-4-7-26-18/h3-11H,12-13H2,1-2H3,(H,28,29,31).
What are the key properties of 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?
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 has a molecular weight of 472.53 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176833851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).