3-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-4-N-(2-methoxypropyl)-4-N-methylpyridine-3,4-diamine

C22H22F2N6O — CID 71007302

IUPAC3-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-4-N-(2-methoxypropyl)-4-N-methylpyridine-3,4-diamine
SMILESCOC(C)CN(C)c1ccncc1Nc1ncc2ccc(-c3c(F)cccc3F)nn12
InChIInChI=1S/C22H22F2N6O/c1-14(31-3)13-29(2)20-9-10-25-12-19(20)27-22-26-11-15-7-8-18(28-30(15)22)21-16(23)5-4-6-17(21)24/h4-12,14H,13H2,1-3H3,(H,26,27)
InChIKeyQNBBVZPCDPPSPO-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.28
Rot. Bonds7

About 3-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-4-N-(2-methoxypropyl)-4-N-methylpyridine-3,4-diamine

3-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-4-N-(2-methoxypropyl)-4-N-methylpyridine-3,4-diamine (PubChem CID 71007302) has the molecular formula C22H22F2N6O and a molecular weight of 424.46 g/mol. Its IUPAC name is 3-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-4-N-(2-methoxypropyl)-4-N-methylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-4-N-(2-methoxypropyl)-4-N-methylpyridine-3,4-diamine
PubChem CID71007302
Molecular FormulaC22H22F2N6O
Molecular Weight424.46 g/mol
Exact Mass424.18
IUPAC Name3-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-4-N-(2-methoxypropyl)-4-N-methylpyridine-3,4-diamine
SMILESCOC(C)CN(C)c1ccncc1Nc1ncc2ccc(-c3c(F)cccc3F)nn12
InChIInChI=1S/C22H22F2N6O/c1-14(31-3)13-29(2)20-9-10-25-12-19(20)27-22-26-11-15-7-8-18(28-30(15)22)21-16(23)5-4-6-17(21)24/h4-12,14H,13H2,1-3H3,(H,26,27)
InChIKeyQNBBVZPCDPPSPO-UHFFFAOYSA-N
XLogP4.28
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-4-N-(2-methoxypropyl)-4-N-methylpyridine-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-4-N-(2-methoxypropyl)-4-N-methylpyridine-3,4-diamine?
The IUPAC name of 3-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-4-N-(2-methoxypropyl)-4-N-methylpyridine-3,4-diamine (CID 71007302) is 3-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-4-N-(2-methoxypropyl)-4-N-methylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-4-N-(2-methoxypropyl)-4-N-methylpyridine-3,4-diamine?
The canonical SMILES for 3-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-4-N-(2-methoxypropyl)-4-N-methylpyridine-3,4-diamine is COC(C)CN(C)c1ccncc1Nc1ncc2ccc(-c3c(F)cccc3F)nn12.
What is the InChIKey of 3-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-4-N-(2-methoxypropyl)-4-N-methylpyridine-3,4-diamine?
The InChIKey is QNBBVZPCDPPSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O/c1-14(31-3)13-29(2)20-9-10-25-12-19(20)27-22-26-11-15-7-8-18(28-30(15)22)21-16(23)5-4-6-17(21)24/h4-12,14H,13H2,1-3H3,(H,26,27).
What are the key properties of 3-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-4-N-(2-methoxypropyl)-4-N-methylpyridine-3,4-diamine?
3-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-4-N-(2-methoxypropyl)-4-N-methylpyridine-3,4-diamine has a molecular weight of 424.46 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]-4-N-(2-methoxypropyl)-4-N-methylpyridine-3,4-diamine is sourced from PubChem (CID 71007302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).