N-[3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

C30H34N8O3 — CID 67259704

IUPACN-[3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)CC5)ccn34)c12
InChIInChI=1S/C30H34N8O3/c1-21-6-4-7-22(32-21)20-38-25-9-5-8-24(28(25)30(34-38)40-3)33-29(39)26-19-31-27-18-23(10-11-37(26)27)41-17-16-36-14-12-35(2)13-15-36/h4-11,18-19H,12-17,20H2,1-3H3,(H,33,39)
InChIKeyFHGLIYSSHQABAZ-UHFFFAOYSA-N
MW554.66 g/mol
LogP3.32
Rot. Bonds9

About N-[3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-[3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67259704) has the molecular formula C30H34N8O3 and a molecular weight of 554.66 g/mol. Its IUPAC name is N-[3-methoxy-1-[(6-methyl-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-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67259704
Molecular FormulaC30H34N8O3
Molecular Weight554.66 g/mol
Exact Mass554.28
IUPAC NameN-[3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)CC5)ccn34)c12
InChIInChI=1S/C30H34N8O3/c1-21-6-4-7-22(32-21)20-38-25-9-5-8-24(28(25)30(34-38)40-3)33-29(39)26-19-31-27-18-23(10-11-37(26)27)41-17-16-36-14-12-35(2)13-15-36/h4-11,18-19H,12-17,20H2,1-3H3,(H,33,39)
InChIKeyFHGLIYSSHQABAZ-UHFFFAOYSA-N
XLogP3.32
TPSA102.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.66
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-1-[(6-methyl-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-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 67259704) is N-[3-methoxy-1-[(6-methyl-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-methoxy-1-[(6-methyl-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-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is COc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)CC5)ccn34)c12.
What is the InChIKey of N-[3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FHGLIYSSHQABAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O3/c1-21-6-4-7-22(32-21)20-38-25-9-5-8-24(28(25)30(34-38)40-3)33-29(39)26-19-31-27-18-23(10-11-37(26)27)41-17-16-36-14-12-35(2)13-15-36/h4-11,18-19H,12-17,20H2,1-3H3,(H,33,39).
What are the key properties of N-[3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-methoxy-1-[(6-methyl-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 554.66 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-1-[(6-methyl-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 67259704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).