1-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine

C33H35FN8 — CID 58335727

IUPAC1-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2cc(-c3cccc(-c4cnc5ccc(N6CCCC6c6cccc(F)c6)nn45)n3)ccn2)CC1
InChIInChI=1S/C33H35FN8/c1-39(2)26-14-18-40(19-15-26)33-21-23(13-16-35-33)27-8-4-9-28(37-27)30-22-36-31-11-12-32(38-42(30)31)41-17-5-10-29(41)24-6-3-7-25(34)20-24/h3-4,6-9,11-13,16,20-22,26,29H,5,10,14-15,17-19H2,1-2H3
InChIKeyLTZSANIZAQTRAX-UHFFFAOYSA-N
MW562.70 g/mol
LogP5.86
Rot. Bonds6

About 1-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine

1-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 58335727) has the molecular formula C33H35FN8 and a molecular weight of 562.70 g/mol. Its IUPAC name is 1-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine
PubChem CID58335727
Molecular FormulaC33H35FN8
Molecular Weight562.70 g/mol
Exact Mass562.30
IUPAC Name1-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2cc(-c3cccc(-c4cnc5ccc(N6CCCC6c6cccc(F)c6)nn45)n3)ccn2)CC1
InChIInChI=1S/C33H35FN8/c1-39(2)26-14-18-40(19-15-26)33-21-23(13-16-35-33)27-8-4-9-28(37-27)30-22-36-31-11-12-32(38-42(30)31)41-17-5-10-29(41)24-6-3-7-25(34)20-24/h3-4,6-9,11-13,16,20-22,26,29H,5,10,14-15,17-19H2,1-2H3
InChIKeyLTZSANIZAQTRAX-UHFFFAOYSA-N
XLogP5.86
TPSA65.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.70
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine (CID 58335727) is 1-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(c2cc(-c3cccc(-c4cnc5ccc(N6CCCC6c6cccc(F)c6)nn45)n3)ccn2)CC1.
What is the InChIKey of 1-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is LTZSANIZAQTRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35FN8/c1-39(2)26-14-18-40(19-15-26)33-21-23(13-16-35-33)27-8-4-9-28(37-27)30-22-36-31-11-12-32(38-42(30)31)41-17-5-10-29(41)24-6-3-7-25(34)20-24/h3-4,6-9,11-13,16,20-22,26,29H,5,10,14-15,17-19H2,1-2H3.
What are the key properties of 1-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine?
1-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 562.70 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 58335727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).