N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide

C20H22FN5O — CID 135217194

IUPACN-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccc(F)cc4)c(C)nc23)C1
InChIInChI=1S/C20H22FN5O/c1-12-10-18(25-9-8-17(11-25)23-14(3)27)20-22-13(2)19(26(20)24-12)15-4-6-16(21)7-5-15/h4-7,10,17H,8-9,11H2,1-3H3,(H,23,27)/t17-/m1/s1
InChIKeyKJFCXAGCYIUBOG-QGZVFWFLSA-N
MW367.43 g/mol
LogP2.87
Rot. Bonds3

About N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide

N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide (PubChem CID 135217194) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
PubChem CID135217194
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC NameN-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccc(F)cc4)c(C)nc23)C1
InChIInChI=1S/C20H22FN5O/c1-12-10-18(25-9-8-17(11-25)23-14(3)27)20-22-13(2)19(26(20)24-12)15-4-6-16(21)7-5-15/h4-7,10,17H,8-9,11H2,1-3H3,(H,23,27)/t17-/m1/s1
InChIKeyKJFCXAGCYIUBOG-QGZVFWFLSA-N
XLogP2.87
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide (CID 135217194) is N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccc(F)cc4)c(C)nc23)C1.
What is the InChIKey of N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is KJFCXAGCYIUBOG-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-12-10-18(25-9-8-17(11-25)23-14(3)27)20-22-13(2)19(26(20)24-12)15-4-6-16(21)7-5-15/h4-7,10,17H,8-9,11H2,1-3H3,(H,23,27)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?
N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 367.43 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[3-(4-fluorophenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 135217194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).