2-(cyclopropylamino)-N-[[3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-1,3-thiazole-4-carboxamide

C19H26N6O2S — CID 128973224

IUPAC2-(cyclopropylamino)-N-[[3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1cnn2c1CC(CNC(=O)c1csc(NC3CC3)n1)CC2
InChIInChI=1S/C19H26N6O2S/c1-11(2)22-17(26)14-9-21-25-6-5-12(7-16(14)25)8-20-18(27)15-10-28-19(24-15)23-13-3-4-13/h9-13H,3-8H2,1-2H3,(H,20,27)(H,22,26)(H,23,24)
InChIKeyJSSJLJCCNJSXBQ-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.04
Rot. Bonds7

About 2-(cyclopropylamino)-N-[[3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-1,3-thiazole-4-carboxamide

2-(cyclopropylamino)-N-[[3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 128973224) has the molecular formula C19H26N6O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[[3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[[3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID128973224
Molecular FormulaC19H26N6O2S
Molecular Weight402.52 g/mol
Exact Mass402.18
IUPAC Name2-(cyclopropylamino)-N-[[3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1cnn2c1CC(CNC(=O)c1csc(NC3CC3)n1)CC2
InChIInChI=1S/C19H26N6O2S/c1-11(2)22-17(26)14-9-21-25-6-5-12(7-16(14)25)8-20-18(27)15-10-28-19(24-15)23-13-3-4-13/h9-13H,3-8H2,1-2H3,(H,20,27)(H,22,26)(H,23,24)
InChIKeyJSSJLJCCNJSXBQ-UHFFFAOYSA-N
XLogP2.04
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(cyclopropylamino)-N-[[3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-[1-[5-Methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 137049657
N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 56908721
5-cyclopropyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide
CID 122144752
N-cyclopropyl-N-[4-[[[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 164633740
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 56884437
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 56899586
[1-(4-Tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 1197211
N-(1-adamantyl)-4-[1-(4-tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carbonyl]-2-methylpiperazine-1-carboxamide
CID 4443137
1-[4-[1-(4-Tert-butyl-1,3-thiazol-2-yl)-5-ethylpyrazole-4-carbonyl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 42725731
1-[4-[1-(4-Tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carbonyl]-2-methylpiperazin-1-yl]nonan-1-one
CID 42725736
2-methyl-N-[4-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 47054966
2-methyl-N-[4-[2-[[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 52349141

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[[3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-[[3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-1,3-thiazole-4-carboxamide (CID 128973224) is 2-(cyclopropylamino)-N-[[3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[[3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[[3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-1,3-thiazole-4-carboxamide is CC(C)NC(=O)c1cnn2c1CC(CNC(=O)c1csc(NC3CC3)n1)CC2.
What is the InChIKey of 2-(cyclopropylamino)-N-[[3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JSSJLJCCNJSXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2S/c1-11(2)22-17(26)14-9-21-25-6-5-12(7-16(14)25)8-20-18(27)15-10-28-19(24-15)23-13-3-4-13/h9-13H,3-8H2,1-2H3,(H,20,27)(H,22,26)(H,23,24).
What are the key properties of 2-(cyclopropylamino)-N-[[3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-1,3-thiazole-4-carboxamide?
2-(cyclopropylamino)-N-[[3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[[3-(propan-2-ylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 128973224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).