2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

C19H21N7OS — CID 59332253

IUPAC2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(N2Cc3cn[nH]c3C2)n1
InChIInChI=1S/C19H21N7OS/c27-18(22-14-3-1-2-4-17(14)25-7-5-20-6-8-25)16-12-28-19(23-16)26-10-13-9-21-24-15(13)11-26/h1-4,9,12,20H,5-8,10-11H2,(H,21,24)(H,22,27)
InChIKeyWYXLJUGPOFKWSP-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.05
Rot. Bonds4

About 2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 59332253) has the molecular formula C19H21N7OS and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID59332253
Molecular FormulaC19H21N7OS
Molecular Weight395.49 g/mol
Exact Mass395.15
IUPAC Name2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(N2Cc3cn[nH]c3C2)n1
InChIInChI=1S/C19H21N7OS/c27-18(22-14-3-1-2-4-17(14)25-7-5-20-6-8-25)16-12-28-19(23-16)26-10-13-9-21-24-15(13)11-26/h1-4,9,12,20H,5-8,10-11H2,(H,21,24)(H,22,27)
InChIKeyWYXLJUGPOFKWSP-UHFFFAOYSA-N
XLogP2.05
TPSA89.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1h-Indazol-1-Yl)-N-[2-(Piperazin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide
CID 59332218
2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24968463
2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24968464
N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332354
N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 70692367
N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 70692368
2-[(1-methyl-3-phenylpyrazol-5-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24968116
2-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 129052431
2-indazol-1-yl-N-(2-piperazin-4-ium-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 78225496
2-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 129052945
4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrole-2-carboxamide
CID 135368594
N-(2-(2-(1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 71802173

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 59332253) is 2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1csc(N2Cc3cn[nH]c3C2)n1.
What is the InChIKey of 2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WYXLJUGPOFKWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7OS/c27-18(22-14-3-1-2-4-17(14)25-7-5-20-6-8-25)16-12-28-19(23-16)26-10-13-9-21-24-15(13)11-26/h1-4,9,12,20H,5-8,10-11H2,(H,21,24)(H,22,27).
What are the key properties of 2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59332253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).