6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-pyrrolidin-1-ylpyrazin-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine

C29H27FN8 — CID 58335902

IUPAC6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-pyrrolidin-1-ylpyrazin-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine
SMILESFc1cccc(C2CCCN2c2ccc3ncc(-c4cccc(-c5cnc(N6CCCC6)cn5)n4)n3n2)c1
InChIInChI=1S/C29H27FN8/c30-21-7-3-6-20(16-21)25-10-5-15-37(25)28-12-11-27-33-18-26(38(27)35-28)23-9-4-8-22(34-23)24-17-32-29(19-31-24)36-13-1-2-14-36/h3-4,6-9,11-12,16-19,25H,1-2,5,10,13-15H2
InChIKeyWACIEGVPHWIPFV-UHFFFAOYSA-N
MW506.59 g/mol
LogP5.33
Rot. Bonds5

About 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-pyrrolidin-1-ylpyrazin-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine

6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-pyrrolidin-1-ylpyrazin-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine (PubChem CID 58335902) has the molecular formula C29H27FN8 and a molecular weight of 506.59 g/mol. Its IUPAC name is 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-pyrrolidin-1-ylpyrazin-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-pyrrolidin-1-ylpyrazin-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine
PubChem CID58335902
Molecular FormulaC29H27FN8
Molecular Weight506.59 g/mol
Exact Mass506.23
IUPAC Name6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-pyrrolidin-1-ylpyrazin-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine
SMILESFc1cccc(C2CCCN2c2ccc3ncc(-c4cccc(-c5cnc(N6CCCC6)cn5)n4)n3n2)c1
InChIInChI=1S/C29H27FN8/c30-21-7-3-6-20(16-21)25-10-5-15-37(25)28-12-11-27-33-18-26(38(27)35-28)23-9-4-8-22(34-23)24-17-32-29(19-31-24)36-13-1-2-14-36/h3-4,6-9,11-12,16-19,25H,1-2,5,10,13-15H2
InChIKeyWACIEGVPHWIPFV-UHFFFAOYSA-N
XLogP5.33
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.59
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-pyrrolidin-1-ylpyrazin-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-pyrrolidin-1-ylpyrazin-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine (CID 58335902) is 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-pyrrolidin-1-ylpyrazin-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-pyrrolidin-1-ylpyrazin-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-pyrrolidin-1-ylpyrazin-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine is Fc1cccc(C2CCCN2c2ccc3ncc(-c4cccc(-c5cnc(N6CCCC6)cn5)n4)n3n2)c1.
What is the InChIKey of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-pyrrolidin-1-ylpyrazin-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine?
The InChIKey is WACIEGVPHWIPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN8/c30-21-7-3-6-20(16-21)25-10-5-15-37(25)28-12-11-27-33-18-26(38(27)35-28)23-9-4-8-22(34-23)24-17-32-29(19-31-24)36-13-1-2-14-36/h3-4,6-9,11-12,16-19,25H,1-2,5,10,13-15H2.
What are the key properties of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-pyrrolidin-1-ylpyrazin-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine?
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-pyrrolidin-1-ylpyrazin-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine has a molecular weight of 506.59 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-pyrrolidin-1-ylpyrazin-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 58335902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).