2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C20H19N7OS — CID 59332249

IUPAC2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-n2ncc3ccccc32)n1
InChIInChI=1S/C20H19N7OS/c28-19(24-15-12-22-6-5-18(15)26-9-7-21-8-10-26)16-13-29-20(25-16)27-17-4-2-1-3-14(17)11-23-27/h1-6,11-13,21H,7-10H2,(H,24,28)
InChIKeyGCCOXQUZKDQPAQ-UHFFFAOYSA-N
MW405.49 g/mol
LogP2.54
Rot. Bonds4

About 2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 59332249) has the molecular formula C20H19N7OS and a molecular weight of 405.49 g/mol. Its IUPAC name is 2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID59332249
Molecular FormulaC20H19N7OS
Molecular Weight405.49 g/mol
Exact Mass405.14
IUPAC Name2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-n2ncc3ccccc32)n1
InChIInChI=1S/C20H19N7OS/c28-19(24-15-12-22-6-5-18(15)26-9-7-21-8-10-26)16-13-29-20(25-16)27-17-4-2-1-3-14(17)11-23-27/h1-6,11-13,21H,7-10H2,(H,24,28)
InChIKeyGCCOXQUZKDQPAQ-UHFFFAOYSA-N
XLogP2.54
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1h-Indazol-1-Yl)-N-[2-(Piperazin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide
CID 59332218
Ihmt-trk-284
CID 156760472
2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24779782
2-(3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24952336
2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24968460
2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24968463
2-(3-Phenylpyrazolo[5,4-c]pyridin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 59179967
2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332168
N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332354
US10214537, Example 480
CID 130363616
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]benzamide
CID 153531518
N-[5-[3-(5-fluoro-3-pyridinyl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 156760471

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 59332249) is 2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2ncc3ccccc32)n1.
What is the InChIKey of 2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GCCOXQUZKDQPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7OS/c28-19(24-15-12-22-6-5-18(15)26-9-7-21-8-10-26)16-13-29-20(25-16)27-17-4-2-1-3-14(17)11-23-27/h1-6,11-13,21H,7-10H2,(H,24,28).
What are the key properties of 2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 405.49 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59332249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).