2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C24H23N9OS2 — CID 59332146

IUPAC2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(Nc2nn(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)c3ccccc23)sn1
InChIInChI=1S/C24H23N9OS2/c1-15-12-21(36-31-15)29-22-16-4-2-3-5-19(16)33(30-22)24-28-18(14-35-24)23(34)27-17-13-26-7-6-20(17)32-10-8-25-9-11-32/h2-7,12-14,25H,8-11H2,1H3,(H,27,34)(H,29,30)
InChIKeyNAMYSZVNAITUAG-UHFFFAOYSA-N
MW517.64 g/mol
LogP4.05
Rot. Bonds6

About 2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 59332146) has the molecular formula C24H23N9OS2 and a molecular weight of 517.64 g/mol. Its IUPAC name is 2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID59332146
Molecular FormulaC24H23N9OS2
Molecular Weight517.64 g/mol
Exact Mass517.15
IUPAC Name2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(Nc2nn(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)c3ccccc23)sn1
InChIInChI=1S/C24H23N9OS2/c1-15-12-21(36-31-15)29-22-16-4-2-3-5-19(16)33(30-22)24-28-18(14-35-24)23(34)27-17-13-26-7-6-20(17)32-10-8-25-9-11-32/h2-7,12-14,25H,8-11H2,1H3,(H,27,34)(H,29,30)
InChIKeyNAMYSZVNAITUAG-UHFFFAOYSA-N
XLogP4.05
TPSA112.89 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.64
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 59332146) is 2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is Cc1cc(Nc2nn(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)c3ccccc23)sn1.
What is the InChIKey of 2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NAMYSZVNAITUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9OS2/c1-15-12-21(36-31-15)29-22-16-4-2-3-5-19(16)33(30-22)24-28-18(14-35-24)23(34)27-17-13-26-7-6-20(17)32-10-8-25-9-11-32/h2-7,12-14,25H,8-11H2,1H3,(H,27,34)(H,29,30).
What are the key properties of 2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 517.64 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59332146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).