N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

C33H38N8O2 — CID 53261962

IUPACN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC6CCC(C5)N6C)ccn34)c12
InChIInChI=1S/C33H38N8O2/c1-4-27-32-28(9-6-10-29(32)41(37-27)19-23-8-5-7-22(2)35-23)36-33(42)30-18-34-31-17-26(13-14-40(30)31)43-16-15-39-20-24-11-12-25(21-39)38(24)3/h5-10,13-14,17-18,24-25H,4,11-12,15-16,19-21H2,1-3H3,(H,36,42)
InChIKeyRZVNZCHZRAAISG-UHFFFAOYSA-N
MW578.72 g/mol
LogP4.41
Rot. Bonds9

About N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 53261962) has the molecular formula C33H38N8O2 and a molecular weight of 578.72 g/mol. Its IUPAC name is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID53261962
Molecular FormulaC33H38N8O2
Molecular Weight578.72 g/mol
Exact Mass578.31
IUPAC NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC6CCC(C5)N6C)ccn34)c12
InChIInChI=1S/C33H38N8O2/c1-4-27-32-28(9-6-10-29(32)41(37-27)19-23-8-5-7-22(2)35-23)36-33(42)30-18-34-31-17-26(13-14-40(30)31)43-16-15-39-20-24-11-12-25(21-39)38(24)3/h5-10,13-14,17-18,24-25H,4,11-12,15-16,19-21H2,1-3H3,(H,36,42)
InChIKeyRZVNZCHZRAAISG-UHFFFAOYSA-N
XLogP4.41
TPSA92.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.72
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 53261962) is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC6CCC(C5)N6C)ccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is RZVNZCHZRAAISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N8O2/c1-4-27-32-28(9-6-10-29(32)41(37-27)19-23-8-5-7-22(2)35-23)36-33(42)30-18-34-31-17-26(13-14-40(30)31)43-16-15-39-20-24-11-12-25(21-39)38(24)3/h5-10,13-14,17-18,24-25H,4,11-12,15-16,19-21H2,1-3H3,(H,36,42).
What are the key properties of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 578.72 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 53261962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).