6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propylpiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine

C34H36FN7 — CID 143894914

IUPAC6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propylpiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine
SMILESCCCC1CCN(c2cc(-c3cccc(-c4cnc5ccc(N6CCCC6c6cccc(F)c6)nn45)n3)ccn2)CC1
InChIInChI=1S/C34H36FN7/c1-2-6-24-15-19-40(20-16-24)34-22-25(14-17-36-34)28-9-4-10-29(38-28)31-23-37-32-12-13-33(39-42(31)32)41-18-5-11-30(41)26-7-3-8-27(35)21-26/h3-4,7-10,12-14,17,21-24,30H,2,5-6,11,15-16,18-20H2,1H3
InChIKeyJVSTVZMYVVEDMP-UHFFFAOYSA-N
MW561.71 g/mol
LogP7.35
Rot. Bonds7

About 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propylpiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine

6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propylpiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine (PubChem CID 143894914) has the molecular formula C34H36FN7 and a molecular weight of 561.71 g/mol. Its IUPAC name is 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propylpiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propylpiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine
PubChem CID143894914
Molecular FormulaC34H36FN7
Molecular Weight561.71 g/mol
Exact Mass561.30
IUPAC Name6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propylpiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine
SMILESCCCC1CCN(c2cc(-c3cccc(-c4cnc5ccc(N6CCCC6c6cccc(F)c6)nn45)n3)ccn2)CC1
InChIInChI=1S/C34H36FN7/c1-2-6-24-15-19-40(20-16-24)34-22-25(14-17-36-34)28-9-4-10-29(38-28)31-23-37-32-12-13-33(39-42(31)32)41-18-5-11-30(41)26-7-3-8-27(35)21-26/h3-4,7-10,12-14,17,21-24,30H,2,5-6,11,15-16,18-20H2,1H3
InChIKeyJVSTVZMYVVEDMP-UHFFFAOYSA-N
XLogP7.35
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.71
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propylpiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propylpiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine (CID 143894914) is 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propylpiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propylpiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propylpiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine is CCCC1CCN(c2cc(-c3cccc(-c4cnc5ccc(N6CCCC6c6cccc(F)c6)nn45)n3)ccn2)CC1.
What is the InChIKey of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propylpiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine?
The InChIKey is JVSTVZMYVVEDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36FN7/c1-2-6-24-15-19-40(20-16-24)34-22-25(14-17-36-34)28-9-4-10-29(38-28)31-23-37-32-12-13-33(39-42(31)32)41-18-5-11-30(41)26-7-3-8-27(35)21-26/h3-4,7-10,12-14,17,21-24,30H,2,5-6,11,15-16,18-20H2,1H3.
What are the key properties of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propylpiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine?
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propylpiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine has a molecular weight of 561.71 g/mol, XLogP of 7.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propylpiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 143894914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).