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

C25H26FN7O2S — CID 170635987

IUPACN-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cccnc3F)sc12
InChIInChI=1S/C25H26FN7O2S/c1-15-19(10-16(11-28-15)30-21(34)14-32-9-5-7-25(32,2)3)31-23(35)18-12-29-33-13-20(36-24(18)33)17-6-4-8-27-22(17)26/h4,6,8,10-13H,5,7,9,14H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyNQHNHEZBUFLUMT-UHFFFAOYSA-N
MW507.60 g/mol
LogP4.37
Rot. Bonds6

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

N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 170635987) has the molecular formula C25H26FN7O2S and a molecular weight of 507.60 g/mol. Its IUPAC name is N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID170635987
Molecular FormulaC25H26FN7O2S
Molecular Weight507.60 g/mol
Exact Mass507.19
IUPAC NameN-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cccnc3F)sc12
InChIInChI=1S/C25H26FN7O2S/c1-15-19(10-16(11-28-15)30-21(34)14-32-9-5-7-25(32,2)3)31-23(35)18-12-29-33-13-20(36-24(18)33)17-6-4-8-27-22(17)26/h4,6,8,10-13H,5,7,9,14H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyNQHNHEZBUFLUMT-UHFFFAOYSA-N
XLogP4.37
TPSA104.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.60
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide with MolForge

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Related Compounds

5-amino-N-[4-[(3R,4S,5S)-3-amino-5-methyl-4-(triazol-1-yl)piperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 90055886
1-cyclohexyl-N-[6-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 57697977
N-[6-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]-1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 57698146
1-cyclohexyl-3-methyl-N-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 57698197
1-cyclohexyl-3-methyl-N-[6-(methylcarbamoyl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 57698212
5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 58464798
5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58464877
3-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
CID 124120397
3-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
CID 124120423
5-[[1-(Piperidin-4-ylmethyl)pyrazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 71060953
[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 56824923
US20240109917, Example 428
CID 164547211

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 170635987) is N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cccnc3F)sc12.
What is the InChIKey of N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is NQHNHEZBUFLUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O2S/c1-15-19(10-16(11-28-15)30-21(34)14-32-9-5-7-25(32,2)3)31-23(35)18-12-29-33-13-20(36-24(18)33)17-6-4-8-27-22(17)26/h4,6,8,10-13H,5,7,9,14H2,1-3H3,(H,30,34)(H,31,35).
What are the key properties of N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 507.60 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 170635987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).