4-[6-methyl-7-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline

C30H28N8 — CID 148616879

IUPAC4-[6-methyl-7-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline
SMILESCc1nn2c(-c3ccnc4cc(-c5ccncc5)ccc34)cnc2cc1-c1cnn(CC2CCNCC2)c1
InChIInChI=1S/C30H28N8/c1-20-27(24-16-35-37(19-24)18-21-4-9-31-10-5-21)15-30-34-17-29(38(30)36-20)26-8-13-33-28-14-23(2-3-25(26)28)22-6-11-32-12-7-22/h2-3,6-8,11-17,19,21,31H,4-5,9-10,18H2,1H3
InChIKeyNFLUSXZFTKHGRC-UHFFFAOYSA-N
MW500.61 g/mol
LogP5.18
Rot. Bonds5

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

4-[6-methyl-7-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline (PubChem CID 148616879) has the molecular formula C30H28N8 and a molecular weight of 500.61 g/mol. Its IUPAC name is 4-[6-methyl-7-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline.

Molecular Properties

Compound Name4-[6-methyl-7-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline
PubChem CID148616879
Molecular FormulaC30H28N8
Molecular Weight500.61 g/mol
Exact Mass500.24
IUPAC Name4-[6-methyl-7-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline
SMILESCc1nn2c(-c3ccnc4cc(-c5ccncc5)ccc34)cnc2cc1-c1cnn(CC2CCNCC2)c1
InChIInChI=1S/C30H28N8/c1-20-27(24-16-35-37(19-24)18-21-4-9-31-10-5-21)15-30-34-17-29(38(30)36-20)26-8-13-33-28-14-23(2-3-25(26)28)22-6-11-32-12-7-22/h2-3,6-8,11-17,19,21,31H,4-5,9-10,18H2,1H3
InChIKeyNFLUSXZFTKHGRC-UHFFFAOYSA-N
XLogP5.18
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.61
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-7-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline?
The IUPAC name of 4-[6-methyl-7-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline (CID 148616879) is 4-[6-methyl-7-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline.
What is the SMILES notation for 4-[6-methyl-7-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline?
The canonical SMILES for 4-[6-methyl-7-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline is Cc1nn2c(-c3ccnc4cc(-c5ccncc5)ccc34)cnc2cc1-c1cnn(CC2CCNCC2)c1.
What is the InChIKey of 4-[6-methyl-7-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline?
The InChIKey is NFLUSXZFTKHGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N8/c1-20-27(24-16-35-37(19-24)18-21-4-9-31-10-5-21)15-30-34-17-29(38(30)36-20)26-8-13-33-28-14-23(2-3-25(26)28)22-6-11-32-12-7-22/h2-3,6-8,11-17,19,21,31H,4-5,9-10,18H2,1H3.
What are the key properties of 4-[6-methyl-7-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline?
4-[6-methyl-7-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline has a molecular weight of 500.61 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-7-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline is sourced from PubChem (CID 148616879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).