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

C27H28FN7O2 — CID 56942016

IUPAC6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NCc1cccc(N2CCOCC2)n1)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C27H28FN7O2/c28-20-5-1-4-19(16-20)22-7-3-11-34(22)26-10-9-24-29-18-23(35(24)32-26)27(36)30-17-21-6-2-8-25(31-21)33-12-14-37-15-13-33/h1-2,4-6,8-10,16,18,22H,3,7,11-15,17H2,(H,30,36)/t22-/m1/s1
InChIKeyUXBOYIZWHWTUDA-JOCHJYFZSA-N
MW501.57 g/mol
LogP3.37
Rot. Bonds6

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

6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 56942016) has the molecular formula C27H28FN7O2 and a molecular weight of 501.57 g/mol. Its IUPAC name is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID56942016
Molecular FormulaC27H28FN7O2
Molecular Weight501.57 g/mol
Exact Mass501.23
IUPAC Name6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NCc1cccc(N2CCOCC2)n1)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C27H28FN7O2/c28-20-5-1-4-19(16-20)22-7-3-11-34(22)26-10-9-24-29-18-23(35(24)32-26)27(36)30-17-21-6-2-8-25(31-21)33-12-14-37-15-13-33/h1-2,4-6,8-10,16,18,22H,3,7,11-15,17H2,(H,30,36)/t22-/m1/s1
InChIKeyUXBOYIZWHWTUDA-JOCHJYFZSA-N
XLogP3.37
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.57
LogP ≤ 53.37
H-Bond Donors ≤ 51
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]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 56942016) is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]imidazo[1,2-b]pyridazine-3-carboxamide is O=C(NCc1cccc(N2CCOCC2)n1)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12.
What is the InChIKey of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is UXBOYIZWHWTUDA-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H28FN7O2/c28-20-5-1-4-19(16-20)22-7-3-11-34(22)26-10-9-24-29-18-23(35(24)32-26)27(36)30-17-21-6-2-8-25(31-21)33-12-14-37-15-13-33/h1-2,4-6,8-10,16,18,22H,3,7,11-15,17H2,(H,30,36)/t22-/m1/s1.
What are the key properties of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 501.57 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 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]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 56942016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).