7-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C31H36N8O2S — CID 57388101

IUPAC7-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nn(Cc2csc(C(C)C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC6(CN(C)C6)C5)ccn34)c12
InChIInChI=1S/C31H36N8O2S/c1-20(2)30-33-22(15-42-30)14-39-25-7-5-6-24(28(25)21(3)35-39)34-29(40)26-13-32-27-12-23(8-9-38(26)27)41-11-10-37-18-31(19-37)16-36(4)17-31/h5-9,12-13,15,20H,10-11,14,16-19H2,1-4H3,(H,34,40)
InChIKeySPLPOXWFRSYKIW-UHFFFAOYSA-N
MW584.75 g/mol
LogP4.50
Rot. Bonds9

About 7-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

7-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 57388101) has the molecular formula C31H36N8O2S and a molecular weight of 584.75 g/mol. Its IUPAC name is 7-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID57388101
Molecular FormulaC31H36N8O2S
Molecular Weight584.75 g/mol
Exact Mass584.27
IUPAC Name7-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nn(Cc2csc(C(C)C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC6(CN(C)C6)C5)ccn34)c12
InChIInChI=1S/C31H36N8O2S/c1-20(2)30-33-22(15-42-30)14-39-25-7-5-6-24(28(25)21(3)35-39)34-29(40)26-13-32-27-12-23(8-9-38(26)27)41-11-10-37-18-31(19-37)16-36(4)17-31/h5-9,12-13,15,20H,10-11,14,16-19H2,1-4H3,(H,34,40)
InChIKeySPLPOXWFRSYKIW-UHFFFAOYSA-N
XLogP4.50
TPSA92.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.75
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 57388101) is 7-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nn(Cc2csc(C(C)C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC6(CN(C)C6)C5)ccn34)c12.
What is the InChIKey of 7-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is SPLPOXWFRSYKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N8O2S/c1-20(2)30-33-22(15-42-30)14-39-25-7-5-6-24(28(25)21(3)35-39)34-29(40)26-13-32-27-12-23(8-9-38(26)27)41-11-10-37-18-31(19-37)16-36(4)17-31/h5-9,12-13,15,20H,10-11,14,16-19H2,1-4H3,(H,34,40).
What are the key properties of 7-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
7-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 584.75 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 57388101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).