N-methyl-3-[4-[3-(3-methylcyclohexa-1,5-dien-1-yl)-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]-N-(morpholin-4-ylmethyl)pentan-1-amine

C27H39N7O — CID 123724964

About N-methyl-3-[4-[3-(3-methylcyclohexa-1,5-dien-1-yl)-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]-N-(morpholin-4-ylmethyl)pentan-1-amine

N-methyl-3-[4-[3-(3-methylcyclohexa-1,5-dien-1-yl)-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]-N-(morpholin-4-ylmethyl)pentan-1-amine (PubChem CID 123724964) has the molecular formula C27H39N7O and a molecular weight of 477.66 g/mol. Its IUPAC name is N-methyl-3-[4-[3-(3-methylcyclohexa-1,5-dien-1-yl)-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]-N-(morpholin-4-ylmethyl)pentan-1-amine.

Molecular Properties

• Compound Name: N-methyl-3-[4-[3-(3-methylcyclohexa-1,5-dien-1-yl)-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]-N-(morpholin-4-ylmethyl)pentan-1-amine
• PubChem CID: 123724964
• Molecular Formula: C27H39N7O
• Molecular Weight: 477.66 g/mol
• Exact Mass: 477.32
• IUPAC Name: N-methyl-3-[4-[3-(3-methylcyclohexa-1,5-dien-1-yl)-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]-N-(morpholin-4-ylmethyl)pentan-1-amine
• SMILES: CCC(CCN(C)CN1CCOCC1)n1cc(C2C=Nn3c(C4=CC(C)CC=C4)cnc3C2)cn1
• InChI: InChI=1S/C27H39N7O/c1-4-25(8-9-31(3)20-32-10-12-35-13-11-32)33-19-24(17-29-33)23-15-27-28-18-26(34(27)30-16-23)22-7-5-6-21(2)14-22/h5,7,14,16-19,21,23,25H,4,6,8-13,15,20H2,1-3H3
• InChIKey: RBLISUGFKZCBIO-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 63.71 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.66
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-[3-(3-methylcyclohexa-1,5-dien-1-yl)-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]-N-(morpholin-4-ylmethyl)pentan-1-amine?

The IUPAC name of N-methyl-3-[4-[3-(3-methylcyclohexa-1,5-dien-1-yl)-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]-N-(morpholin-4-ylmethyl)pentan-1-amine (CID 123724964) is N-methyl-3-[4-[3-(3-methylcyclohexa-1,5-dien-1-yl)-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]-N-(morpholin-4-ylmethyl)pentan-1-amine.

What is the SMILES notation for N-methyl-3-[4-[3-(3-methylcyclohexa-1,5-dien-1-yl)-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]-N-(morpholin-4-ylmethyl)pentan-1-amine?

The canonical SMILES for N-methyl-3-[4-[3-(3-methylcyclohexa-1,5-dien-1-yl)-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]-N-(morpholin-4-ylmethyl)pentan-1-amine is CCC(CCN(C)CN1CCOCC1)n1cc(C2C=Nn3c(C4=CC(C)CC=C4)cnc3C2)cn1.

What is the InChIKey of N-methyl-3-[4-[3-(3-methylcyclohexa-1,5-dien-1-yl)-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]-N-(morpholin-4-ylmethyl)pentan-1-amine?

The InChIKey is RBLISUGFKZCBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N7O/c1-4-25(8-9-31(3)20-32-10-12-35-13-11-32)33-19-24(17-29-33)23-15-27-28-18-26(34(27)30-16-23)22-7-5-6-21(2)14-22/h5,7,14,16-19,21,23,25H,4,6,8-13,15,20H2,1-3H3.

What are the key properties of N-methyl-3-[4-[3-(3-methylcyclohexa-1,5-dien-1-yl)-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]-N-(morpholin-4-ylmethyl)pentan-1-amine?

N-methyl-3-[4-[3-(3-methylcyclohexa-1,5-dien-1-yl)-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]-N-(morpholin-4-ylmethyl)pentan-1-amine has a molecular weight of 477.66 g/mol, XLogP of 3.80, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-[4-[3-(3-methylcyclohexa-1,5-dien-1-yl)-7,8-dihydroimidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]-N-(morpholin-4-ylmethyl)pentan-1-amine is sourced from PubChem (CID 123724964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).