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

C24H30N8O2S — CID 167138829

IUPAC2-(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
SMILESCc1nn(C)cc1-c1cn2ncc(C(=O)NC3=CC(NC(=O)CN4CCC(C)C4)=CNC3C)c2s1
InChIInChI=1S/C24H30N8O2S/c1-14-5-6-31(10-14)13-22(33)27-17-7-20(16(3)25-8-17)28-23(34)18-9-26-32-12-21(35-24(18)32)19-11-30(4)29-15(19)2/h7-9,11-12,14,16,25H,5-6,10,13H2,1-4H3,(H,27,33)(H,28,34)
InChIKeyRYLMOAUVKGIPHZ-UHFFFAOYSA-N
MW494.63 g/mol
LogP2.01
Rot. Bonds6

About 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

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 (PubChem CID 167138829) has the molecular formula C24H30N8O2S and a molecular weight of 494.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID167138829
Molecular FormulaC24H30N8O2S
Molecular Weight494.63 g/mol
Exact Mass494.22
IUPAC Name2-(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
SMILESCc1nn(C)cc1-c1cn2ncc(C(=O)NC3=CC(NC(=O)CN4CCC(C)C4)=CNC3C)c2s1
InChIInChI=1S/C24H30N8O2S/c1-14-5-6-31(10-14)13-22(33)27-17-7-20(16(3)25-8-17)28-23(34)18-9-26-32-12-21(35-24(18)32)19-11-30(4)29-15(19)2/h7-9,11-12,14,16,25H,5-6,10,13H2,1-4H3,(H,27,33)(H,28,34)
InChIKeyRYLMOAUVKGIPHZ-UHFFFAOYSA-N
XLogP2.01
TPSA108.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.63
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

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-(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
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-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
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-(cyclobutylamino)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 167139826
2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(3R)-3-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548154
2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(3S)-3-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 167139020
2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-(3-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547957
2-(1,3-dimethylpyrazol-4-yl)-N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548387
N-[5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 170636057
N-[5-[2-(azepan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547198

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nn(C)cc1-c1cn2ncc(C(=O)NC3=CC(NC(=O)CN4CCC(C)C4)=CNC3C)c2s1.
What is the InChIKey of 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?
The InChIKey is RYLMOAUVKGIPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O2S/c1-14-5-6-31(10-14)13-22(33)27-17-7-20(16(3)25-8-17)28-23(34)18-9-26-32-12-21(35-24(18)32)19-11-30(4)29-15(19)2/h7-9,11-12,14,16,25H,5-6,10,13H2,1-4H3,(H,27,33)(H,28,34).
What are the key properties of 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?
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 has a molecular weight of 494.63 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167138829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).