N-[3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

C29H34N8O2S — CID 53261895

IUPACN-[3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2csc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)CC5)ccn34)c12
InChIInChI=1S/C29H34N8O2S/c1-4-23-28-24(6-5-7-25(28)37(33-23)18-21-19-40-20(2)31-21)32-29(38)26-17-30-27-16-22(8-9-36(26)27)39-15-14-35-12-10-34(3)11-13-35/h5-9,16-17,19H,4,10-15,18H2,1-3H3,(H,32,38)
InChIKeyOYSJUNNZMYPPDD-UHFFFAOYSA-N
MW558.71 g/mol
LogP3.94
Rot. Bonds9

About N-[3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-[3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 53261895) has the molecular formula C29H34N8O2S and a molecular weight of 558.71 g/mol. Its IUPAC name is N-[3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID53261895
Molecular FormulaC29H34N8O2S
Molecular Weight558.71 g/mol
Exact Mass558.25
IUPAC NameN-[3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2csc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)CC5)ccn34)c12
InChIInChI=1S/C29H34N8O2S/c1-4-23-28-24(6-5-7-25(28)37(33-23)18-21-19-40-20(2)31-21)32-29(38)26-17-30-27-16-22(8-9-36(26)27)39-15-14-35-12-10-34(3)11-13-35/h5-9,16-17,19H,4,10-15,18H2,1-3H3,(H,32,38)
InChIKeyOYSJUNNZMYPPDD-UHFFFAOYSA-N
XLogP3.94
TPSA92.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.71
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 53261895) is N-[3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2csc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)CC5)ccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is OYSJUNNZMYPPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N8O2S/c1-4-23-28-24(6-5-7-25(28)37(33-23)18-21-19-40-20(2)31-21)32-29(38)26-17-30-27-16-22(8-9-36(26)27)39-15-14-35-12-10-34(3)11-13-35/h5-9,16-17,19H,4,10-15,18H2,1-3H3,(H,32,38).
What are the key properties of N-[3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 558.71 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 53261895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).