[3-[[(5-fluoro-1H-indol-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone

C22H22FN5O2 — CID 30897242

IUPAC[3-[[(5-fluoro-1H-indol-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc2ccccn2c1CNCc1cc2cc(F)ccc2[nH]1)N1CCOCC1
InChIInChI=1S/C22H22FN5O2/c23-16-4-5-18-15(11-16)12-17(25-18)13-24-14-19-21(22(29)27-7-9-30-10-8-27)26-20-3-1-2-6-28(19)20/h1-6,11-12,24-25H,7-10,13-14H2
InChIKeyOSKJFSJJHICPPN-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.72
Rot. Bonds5

About [3-[[(5-fluoro-1H-indol-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone

[3-[[(5-fluoro-1H-indol-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 30897242) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is [3-[[(5-fluoro-1H-indol-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[[(5-fluoro-1H-indol-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID30897242
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name[3-[[(5-fluoro-1H-indol-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc2ccccn2c1CNCc1cc2cc(F)ccc2[nH]1)N1CCOCC1
InChIInChI=1S/C22H22FN5O2/c23-16-4-5-18-15(11-16)12-17(25-18)13-24-14-19-21(22(29)27-7-9-30-10-8-27)26-20-3-1-2-6-28(19)20/h1-6,11-12,24-25H,7-10,13-14H2
InChIKeyOSKJFSJJHICPPN-UHFFFAOYSA-N
XLogP2.72
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[[(5-fluoro-1H-indol-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[[(5-fluoro-1H-indol-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone (CID 30897242) is [3-[[(5-fluoro-1H-indol-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[[(5-fluoro-1H-indol-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[[(5-fluoro-1H-indol-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone is O=C(c1nc2ccccn2c1CNCc1cc2cc(F)ccc2[nH]1)N1CCOCC1.
What is the InChIKey of [3-[[(5-fluoro-1H-indol-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is OSKJFSJJHICPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c23-16-4-5-18-15(11-16)12-17(25-18)13-24-14-19-21(22(29)27-7-9-30-10-8-27)26-20-3-1-2-6-28(19)20/h1-6,11-12,24-25H,7-10,13-14H2.
What are the key properties of [3-[[(5-fluoro-1H-indol-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
[3-[[(5-fluoro-1H-indol-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 407.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(5-fluoro-1H-indol-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 30897242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).