4-[6-methyl-7-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline

C32H29N7 — CID 147449005

IUPAC4-[6-methyl-7-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline
SMILESCc1nn2c(-c3ccnc4cc(-c5ccncc5)ccc34)cnc2cc1-c1cccc(N2CCN(C)CC2)c1
InChIInChI=1S/C32H29N7/c1-22-29(25-4-3-5-26(18-25)38-16-14-37(2)15-17-38)20-32-35-21-31(39(32)36-22)28-10-13-34-30-19-24(6-7-27(28)30)23-8-11-33-12-9-23/h3-13,18-21H,14-17H2,1-2H3
InChIKeyDXRRWDQQZUMCKA-UHFFFAOYSA-N
MW511.63 g/mol
LogP5.73
Rot. Bonds4

About 4-[6-methyl-7-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline

4-[6-methyl-7-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline (PubChem CID 147449005) has the molecular formula C32H29N7 and a molecular weight of 511.63 g/mol. Its IUPAC name is 4-[6-methyl-7-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline.

Molecular Properties

Compound Name4-[6-methyl-7-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline
PubChem CID147449005
Molecular FormulaC32H29N7
Molecular Weight511.63 g/mol
Exact Mass511.25
IUPAC Name4-[6-methyl-7-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline
SMILESCc1nn2c(-c3ccnc4cc(-c5ccncc5)ccc34)cnc2cc1-c1cccc(N2CCN(C)CC2)c1
InChIInChI=1S/C32H29N7/c1-22-29(25-4-3-5-26(18-25)38-16-14-37(2)15-17-38)20-32-35-21-31(39(32)36-22)28-10-13-34-30-19-24(6-7-27(28)30)23-8-11-33-12-9-23/h3-13,18-21H,14-17H2,1-2H3
InChIKeyDXRRWDQQZUMCKA-UHFFFAOYSA-N
XLogP5.73
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.63
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-7-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline?
The IUPAC name of 4-[6-methyl-7-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline (CID 147449005) is 4-[6-methyl-7-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline.
What is the SMILES notation for 4-[6-methyl-7-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline?
The canonical SMILES for 4-[6-methyl-7-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline is Cc1nn2c(-c3ccnc4cc(-c5ccncc5)ccc34)cnc2cc1-c1cccc(N2CCN(C)CC2)c1.
What is the InChIKey of 4-[6-methyl-7-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline?
The InChIKey is DXRRWDQQZUMCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N7/c1-22-29(25-4-3-5-26(18-25)38-16-14-37(2)15-17-38)20-32-35-21-31(39(32)36-22)28-10-13-34-30-19-24(6-7-27(28)30)23-8-11-33-12-9-23/h3-13,18-21H,14-17H2,1-2H3.
What are the key properties of 4-[6-methyl-7-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline?
4-[6-methyl-7-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline has a molecular weight of 511.63 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-7-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline is sourced from PubChem (CID 147449005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).