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

C31H31FN8 — CID 44520269

IUPAC6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine
SMILESCc1cccc(N2CCN(c3cccc(-c4cnc5ccc(N6CCC[C@@H]6c6cccc(F)c6)nn45)n3)CC2)n1
InChIInChI=1S/C31H31FN8/c1-22-6-2-11-29(34-22)37-16-18-38(19-17-37)30-12-4-9-25(35-30)27-21-33-28-13-14-31(36-40(27)28)39-15-5-10-26(39)23-7-3-8-24(32)20-23/h2-4,6-9,11-14,20-21,26H,5,10,15-19H2,1H3/t26-/m1/s1
InChIKeyUYODHTIXBVGBGB-AREMUKBSSA-N
MW534.64 g/mol
LogP5.30
Rot. Bonds5

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

6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine (PubChem CID 44520269) has the molecular formula C31H31FN8 and a molecular weight of 534.64 g/mol. Its IUPAC name is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine
PubChem CID44520269
Molecular FormulaC31H31FN8
Molecular Weight534.64 g/mol
Exact Mass534.27
IUPAC Name6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine
SMILESCc1cccc(N2CCN(c3cccc(-c4cnc5ccc(N6CCC[C@@H]6c6cccc(F)c6)nn45)n3)CC2)n1
InChIInChI=1S/C31H31FN8/c1-22-6-2-11-29(34-22)37-16-18-38(19-17-37)30-12-4-9-25(35-30)27-21-33-28-13-14-31(36-40(27)28)39-15-5-10-26(39)23-7-3-8-24(32)20-23/h2-4,6-9,11-14,20-21,26H,5,10,15-19H2,1H3/t26-/m1/s1
InChIKeyUYODHTIXBVGBGB-AREMUKBSSA-N
XLogP5.30
TPSA65.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.64
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine (CID 44520269) is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine is Cc1cccc(N2CCN(c3cccc(-c4cnc5ccc(N6CCC[C@@H]6c6cccc(F)c6)nn45)n3)CC2)n1.
What is the InChIKey of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine?
The InChIKey is UYODHTIXBVGBGB-AREMUKBSSA-N. The full InChI is InChI=1S/C31H31FN8/c1-22-6-2-11-29(34-22)37-16-18-38(19-17-37)30-12-4-9-25(35-30)27-21-33-28-13-14-31(36-40(27)28)39-15-5-10-26(39)23-7-3-8-24(32)20-23/h2-4,6-9,11-14,20-21,26H,5,10,15-19H2,1H3/t26-/m1/s1.
What are the key properties of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine?
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine has a molecular weight of 534.64 g/mol, XLogP of 5.30, 5 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-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 44520269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).