N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

C23H23N7O2S — CID 118182535

IUPACN-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4csc(-c5cccnc5)n4)ccc3n2)CC1
InChIInChI=1S/C23H23N7O2S/c1-28-7-9-29(10-8-28)21(31)14-30-13-17-11-18(4-5-19(17)27-30)25-22(32)20-15-33-23(26-20)16-3-2-6-24-12-16/h2-6,11-13,15H,7-10,14H2,1H3,(H,25,32)
InChIKeyMXBBYSVCAMGZSM-UHFFFAOYSA-N
MW461.55 g/mol
LogP2.58
Rot. Bonds5

About N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 118182535) has the molecular formula C23H23N7O2S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID118182535
Molecular FormulaC23H23N7O2S
Molecular Weight461.55 g/mol
Exact Mass461.16
IUPAC NameN-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4csc(-c5cccnc5)n4)ccc3n2)CC1
InChIInChI=1S/C23H23N7O2S/c1-28-7-9-29(10-8-28)21(31)14-30-13-17-11-18(4-5-19(17)27-30)25-22(32)20-15-33-23(26-20)16-3-2-6-24-12-16/h2-6,11-13,15H,7-10,14H2,1H3,(H,25,32)
InChIKeyMXBBYSVCAMGZSM-UHFFFAOYSA-N
XLogP2.58
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (CID 118182535) is N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is CN1CCN(C(=O)Cn2cc3cc(NC(=O)c4csc(-c5cccnc5)n4)ccc3n2)CC1.
What is the InChIKey of N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is MXBBYSVCAMGZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2S/c1-28-7-9-29(10-8-28)21(31)14-30-13-17-11-18(4-5-19(17)27-30)25-22(32)20-15-33-23(26-20)16-3-2-6-24-12-16/h2-6,11-13,15H,7-10,14H2,1H3,(H,25,32).
What are the key properties of N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 461.55 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118182535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).