1-[6-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol

C31H30FN7O — CID 58335776

IUPAC1-[6-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2cccc(-c3cccc(-c4cnc5ccc(N6CCC[C@@H]6c6cccc(F)c6)nn45)n3)n2)CC1
InChIInChI=1S/C31H30FN7O/c32-22-6-1-5-21(19-22)27-10-4-16-38(27)31-13-12-29-33-20-28(39(29)36-31)26-9-2-7-24(34-26)25-8-3-11-30(35-25)37-17-14-23(40)15-18-37/h1-3,5-9,11-13,19-20,23,27,40H,4,10,14-18H2/t27-/m1/s1
InChIKeyCAVKGGQPYSAGIZ-HHHXNRCGSA-N
MW535.63 g/mol
LogP5.30
Rot. Bonds5

About 1-[6-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol

1-[6-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol (PubChem CID 58335776) has the molecular formula C31H30FN7O and a molecular weight of 535.63 g/mol. Its IUPAC name is 1-[6-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol
PubChem CID58335776
Molecular FormulaC31H30FN7O
Molecular Weight535.63 g/mol
Exact Mass535.25
IUPAC Name1-[6-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2cccc(-c3cccc(-c4cnc5ccc(N6CCC[C@@H]6c6cccc(F)c6)nn45)n3)n2)CC1
InChIInChI=1S/C31H30FN7O/c32-22-6-1-5-21(19-22)27-10-4-16-38(27)31-13-12-29-33-20-28(39(29)36-31)26-9-2-7-24(34-26)25-8-3-11-30(35-25)37-17-14-23(40)15-18-37/h1-3,5-9,11-13,19-20,23,27,40H,4,10,14-18H2/t27-/m1/s1
InChIKeyCAVKGGQPYSAGIZ-HHHXNRCGSA-N
XLogP5.30
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.63
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[6-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[6-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol (CID 58335776) is 1-[6-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[6-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[6-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol is OC1CCN(c2cccc(-c3cccc(-c4cnc5ccc(N6CCC[C@@H]6c6cccc(F)c6)nn45)n3)n2)CC1.
What is the InChIKey of 1-[6-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol?
The InChIKey is CAVKGGQPYSAGIZ-HHHXNRCGSA-N. The full InChI is InChI=1S/C31H30FN7O/c32-22-6-1-5-21(19-22)27-10-4-16-38(27)31-13-12-29-33-20-28(39(29)36-31)26-9-2-7-24(34-26)25-8-3-11-30(35-25)37-17-14-23(40)15-18-37/h1-3,5-9,11-13,19-20,23,27,40H,4,10,14-18H2/t27-/m1/s1.
What are the key properties of 1-[6-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol?
1-[6-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol has a molecular weight of 535.63 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 58335776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).