1-[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide

C18H22FN5O2 — CID 126899660

IUPAC1-[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(C2CCN(Cc3cn4cc(F)ccc4n3)CC2)C1
InChIInChI=1S/C18H22FN5O2/c19-13-1-2-16-21-14(11-23(16)9-13)10-22-5-3-15(4-6-22)24-8-12(18(20)26)7-17(24)25/h1-2,9,11-12,15H,3-8,10H2,(H2,20,26)
InChIKeyMJOMLRRFBGHQFT-UHFFFAOYSA-N
MW359.41 g/mol
LogP0.77
Rot. Bonds4

About 1-[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide

1-[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 126899660) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 1-[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID126899660
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name1-[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(C2CCN(Cc3cn4cc(F)ccc4n3)CC2)C1
InChIInChI=1S/C18H22FN5O2/c19-13-1-2-16-21-14(11-23(16)9-13)10-22-5-3-15(4-6-22)24-8-12(18(20)26)7-17(24)25/h1-2,9,11-12,15H,3-8,10H2,(H2,20,26)
InChIKeyMJOMLRRFBGHQFT-UHFFFAOYSA-N
XLogP0.77
TPSA83.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide (CID 126899660) is 1-[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(C2CCN(Cc3cn4cc(F)ccc4n3)CC2)C1.
What is the InChIKey of 1-[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MJOMLRRFBGHQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c19-13-1-2-16-21-14(11-23(16)9-13)10-22-5-3-15(4-6-22)24-8-12(18(20)26)7-17(24)25/h1-2,9,11-12,15H,3-8,10H2,(H2,20,26).
What are the key properties of 1-[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
1-[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 126899660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).