N-[5-[[2-(3-methoxy-3-methylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C25H29N7O4S — CID 167138965

IUPACN-[5-[[2-(3-methoxy-3-methylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCOc1ncccc1-c1cn2ncc(C(=O)NC3=CC(NC(=O)CN4CC(C)(OC)C4)=CNC3C)c2s1
InChIInChI=1S/C25H29N7O4S/c1-15-19(8-16(9-27-15)29-21(33)12-31-13-25(2,14-31)36-4)30-22(34)18-10-28-32-11-20(37-24(18)32)17-6-5-7-26-23(17)35-3/h5-11,15,27H,12-14H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyNOHDPSAHHGCFDL-UHFFFAOYSA-N
MW523.62 g/mol
LogP1.75
Rot. Bonds8

About N-[5-[[2-(3-methoxy-3-methylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[[2-(3-methoxy-3-methylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 167138965) has the molecular formula C25H29N7O4S and a molecular weight of 523.62 g/mol. Its IUPAC name is N-[5-[[2-(3-methoxy-3-methylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(3-methoxy-3-methylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID167138965
Molecular FormulaC25H29N7O4S
Molecular Weight523.62 g/mol
Exact Mass523.20
IUPAC NameN-[5-[[2-(3-methoxy-3-methylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCOc1ncccc1-c1cn2ncc(C(=O)NC3=CC(NC(=O)CN4CC(C)(OC)C4)=CNC3C)c2s1
InChIInChI=1S/C25H29N7O4S/c1-15-19(8-16(9-27-15)29-21(33)12-31-13-25(2,14-31)36-4)30-22(34)18-10-28-32-11-20(37-24(18)32)17-6-5-7-26-23(17)35-3/h5-11,15,27H,12-14H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyNOHDPSAHHGCFDL-UHFFFAOYSA-N
XLogP1.75
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.62
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 167138775
2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
CID 164547388
2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547855
2-(1,3-dimethylpyrazol-4-yl)-N-[2-methyl-5-[[2-(3-methylpyrrolidin-1-yl)acetyl]amino]-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 167138829
2-bromo-N-[5-[[2-(3-methoxypyrrolidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 167139767
N-[5-[[2-(2-ethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 171408639
2-bromo-N-[2-methyl-5-[[2-(2-methylmorpholin-4-yl)acetyl]amino]-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548196
2-bromo-N-[5-[[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 167138782
N-[5-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 167138837
N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
CID 164547834
tert-butyl N-[5-[[2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methyl-3-pyridinyl]carbamate;molecular hydrogen
CID 164548246
2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547742

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(3-methoxy-3-methylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[5-[[2-(3-methoxy-3-methylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 167138965) is N-[5-[[2-(3-methoxy-3-methylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[5-[[2-(3-methoxy-3-methylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[5-[[2-(3-methoxy-3-methylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is COc1ncccc1-c1cn2ncc(C(=O)NC3=CC(NC(=O)CN4CC(C)(OC)C4)=CNC3C)c2s1.
What is the InChIKey of N-[5-[[2-(3-methoxy-3-methylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is NOHDPSAHHGCFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O4S/c1-15-19(8-16(9-27-15)29-21(33)12-31-13-25(2,14-31)36-4)30-22(34)18-10-28-32-11-20(37-24(18)32)17-6-5-7-26-23(17)35-3/h5-11,15,27H,12-14H2,1-4H3,(H,29,33)(H,30,34).
What are the key properties of N-[5-[[2-(3-methoxy-3-methylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[5-[[2-(3-methoxy-3-methylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 523.62 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(3-methoxy-3-methylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 167138965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).