N-[3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

C30H33FN8O2 — CID 67259932

IUPACN-[3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2ccc(F)cn2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)CC5)ccn34)c12
InChIInChI=1S/C30H33FN8O2/c1-3-24-29-25(5-4-6-26(29)39(35-24)20-22-8-7-21(31)18-32-22)34-30(40)27-19-33-28-17-23(9-10-38(27)28)41-16-15-37-13-11-36(2)12-14-37/h4-10,17-19H,3,11-16,20H2,1-2H3,(H,34,40)
InChIKeyVBWSYUAKXRZVQI-UHFFFAOYSA-N
MW556.65 g/mol
LogP3.71
Rot. Bonds9

About N-[3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-[3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67259932) has the molecular formula C30H33FN8O2 and a molecular weight of 556.65 g/mol. Its IUPAC name is N-[3-ethyl-1-[(5-fluoro-2-pyridinyl)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-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67259932
Molecular FormulaC30H33FN8O2
Molecular Weight556.65 g/mol
Exact Mass556.27
IUPAC NameN-[3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2ccc(F)cn2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)CC5)ccn34)c12
InChIInChI=1S/C30H33FN8O2/c1-3-24-29-25(5-4-6-26(29)39(35-24)20-22-8-7-21(31)18-32-22)34-30(40)27-19-33-28-17-23(9-10-38(27)28)41-16-15-37-13-11-36(2)12-14-37/h4-10,17-19H,3,11-16,20H2,1-2H3,(H,34,40)
InChIKeyVBWSYUAKXRZVQI-UHFFFAOYSA-N
XLogP3.71
TPSA92.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.65
LogP ≤ 53.71
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-[(5-fluoro-2-pyridinyl)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-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 67259932) is N-[3-ethyl-1-[(5-fluoro-2-pyridinyl)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-[(5-fluoro-2-pyridinyl)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-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2ccc(F)cn2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)CC5)ccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is VBWSYUAKXRZVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN8O2/c1-3-24-29-25(5-4-6-26(29)39(35-24)20-22-8-7-21(31)18-32-22)34-30(40)27-19-33-28-17-23(9-10-38(27)28)41-16-15-37-13-11-36(2)12-14-37/h4-10,17-19H,3,11-16,20H2,1-2H3,(H,34,40).
What are the key properties of N-[3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 556.65 g/mol, XLogP of 3.71, 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-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67259932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).