2-(2,6-difluorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine

C21H19F2N7 — CID 70983625

IUPAC2-(2,6-difluorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine
SMILESFc1cccc(F)c1-c1ccc2cnc(Nc3cnccc3N3CCNCC3)n2n1
InChIInChI=1S/C21H19F2N7/c22-15-2-1-3-16(23)20(15)17-5-4-14-12-26-21(30(14)28-17)27-18-13-25-7-6-19(18)29-10-8-24-9-11-29/h1-7,12-13,24H,8-11H2,(H,26,27)
InChIKeyJTUMZSSZJKUTNF-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.22
Rot. Bonds4

About 2-(2,6-difluorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine

2-(2,6-difluorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine (PubChem CID 70983625) has the molecular formula C21H19F2N7 and a molecular weight of 407.43 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine
PubChem CID70983625
Molecular FormulaC21H19F2N7
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC Name2-(2,6-difluorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine
SMILESFc1cccc(F)c1-c1ccc2cnc(Nc3cnccc3N3CCNCC3)n2n1
InChIInChI=1S/C21H19F2N7/c22-15-2-1-3-16(23)20(15)17-5-4-14-12-26-21(30(14)28-17)27-18-13-25-7-6-19(18)29-10-8-24-9-11-29/h1-7,12-13,24H,8-11H2,(H,26,27)
InChIKeyJTUMZSSZJKUTNF-UHFFFAOYSA-N
XLogP3.22
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2,6-difluorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine with MolForge

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Related Compounds

2-(2,6-difluorophenyl)-N-[4-[(3S)-3-methylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
CID 71007296
[(3S,4R)-1-[3-[[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-4-methylpiperidin-3-yl]carbamic acid
CID 90311361
2-(2,6-difluorophenyl)-N-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine;2-(2,6-difluorophenyl)-N-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
CID 159675594
[(3S,5R)-1-[3-[[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]carbamic acid
CID 90311965
2-(2,6-difluorophenyl)-N-[4-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
CID 71007374
N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(propan-2-yloxymethyl)phenyl]imidazo[1,5-b]pyridazin-7-amine
CID 123456295
N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(1-fluorocyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-amine
CID 123615787
N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-[2,6-difluoro-4-(oxan-4-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine
CID 123339471
N-[3-amino-1-[3-[[2-(2,6-difluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-5-methylpiperidin-4-yl]acetamide
CID 123980810
3-amino-1-[3-[[2-[2,6-difluoro-4-(4-fluorooxan-4-yl)phenyl]imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-5-methylpiperidin-4-ol
CID 123503016
methyl N-[(3R,4S,5S)-3-amino-1-[3-[[2-(4-cyclopropyl-2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-5-methylpiperidin-4-yl]-N-methylcarbamate
CID 90251834
N-[4-[(1R,5R)-5-amino-3-methylcyclohex-3-en-1-yl]-3-pyridinyl]-2-[2,6-difluoro-4-(oxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine
CID 90252553

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of 2-(2,6-difluorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine (CID 70983625) is 2-(2,6-difluorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine is Fc1cccc(F)c1-c1ccc2cnc(Nc3cnccc3N3CCNCC3)n2n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine?
The InChIKey is JTUMZSSZJKUTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7/c22-15-2-1-3-16(23)20(15)17-5-4-14-12-26-21(30(14)28-17)27-18-13-25-7-6-19(18)29-10-8-24-9-11-29/h1-7,12-13,24H,8-11H2,(H,26,27).
What are the key properties of 2-(2,6-difluorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine?
2-(2,6-difluorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine has a molecular weight of 407.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 70983625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).