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

C33H35FN8 — CID 67029098

IUPAC6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine
SMILESCC(C)N1CCN(c2cc(-c3cccc(-c4cnc5ccc(N6CCC[C@@H]6c6cccc(F)c6)nn45)n3)ccn2)CC1
InChIInChI=1S/C33H35FN8/c1-23(2)39-16-18-40(19-17-39)33-21-24(13-14-35-33)27-8-4-9-28(37-27)30-22-36-31-11-12-32(38-42(30)31)41-15-5-10-29(41)25-6-3-7-26(34)20-25/h3-4,6-9,11-14,20-23,29H,5,10,15-19H2,1-2H3/t29-/m1/s1
InChIKeyCIYUYRIWKZTBRK-GDLZYMKVSA-N
MW562.70 g/mol
LogP5.86
Rot. Bonds6

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

6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine (PubChem CID 67029098) has the molecular formula C33H35FN8 and a molecular weight of 562.70 g/mol. Its IUPAC name is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine
PubChem CID67029098
Molecular FormulaC33H35FN8
Molecular Weight562.70 g/mol
Exact Mass562.30
IUPAC Name6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine
SMILESCC(C)N1CCN(c2cc(-c3cccc(-c4cnc5ccc(N6CCC[C@@H]6c6cccc(F)c6)nn45)n3)ccn2)CC1
InChIInChI=1S/C33H35FN8/c1-23(2)39-16-18-40(19-17-39)33-21-24(13-14-35-33)27-8-4-9-28(37-27)30-22-36-31-11-12-32(38-42(30)31)41-15-5-10-29(41)25-6-3-7-26(34)20-25/h3-4,6-9,11-14,20-23,29H,5,10,15-19H2,1-2H3/t29-/m1/s1
InChIKeyCIYUYRIWKZTBRK-GDLZYMKVSA-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 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine with MolForge

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Related Compounds

CID 118023034
CID 118023034
CID 68289010
CID 68289010
CID 11198924
CID 11198924
CID 60143346
CID 60143346
CID 54766013
CID 54766013
CID 6321422
CID 6321422
CID 95882507
CID 95882507
CID 54576073
CID 54576073
CID 70984064
CID 70984064
CID 118278241
CID 118278241
CID 122179546
CID 122179546
CID 135233366
CID 135233366

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine (CID 67029098) is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine is CC(C)N1CCN(c2cc(-c3cccc(-c4cnc5ccc(N6CCC[C@@H]6c6cccc(F)c6)nn45)n3)ccn2)CC1.
What is the InChIKey of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine?
The InChIKey is CIYUYRIWKZTBRK-GDLZYMKVSA-N. The full InChI is InChI=1S/C33H35FN8/c1-23(2)39-16-18-40(19-17-39)33-21-24(13-14-35-33)27-8-4-9-28(37-27)30-22-36-31-11-12-32(38-42(30)31)41-15-5-10-29(41)25-6-3-7-26(34)20-25/h3-4,6-9,11-14,20-23,29H,5,10,15-19H2,1-2H3/t29-/m1/s1.
What are the key properties of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine?
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine 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 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 67029098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).