morpholin-4-yl-[3-[(1-pyridin-4-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone

C21H25N5O2 — CID 45211784

IUPACmorpholin-4-yl-[3-[(1-pyridin-4-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCCC(NCc1c(C(=O)N2CCOCC2)nc2ccccn12)c1ccncc1
InChIInChI=1S/C21H25N5O2/c1-2-17(16-6-8-22-9-7-16)23-15-18-20(21(27)25-11-13-28-14-12-25)24-19-5-3-4-10-26(18)19/h3-10,17,23H,2,11-15H2,1H3
InChIKeyBLGTXYOHQJCJLO-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.44
Rot. Bonds6

About morpholin-4-yl-[3-[(1-pyridin-4-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone

morpholin-4-yl-[3-[(1-pyridin-4-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 45211784) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is morpholin-4-yl-[3-[(1-pyridin-4-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3-[(1-pyridin-4-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID45211784
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Namemorpholin-4-yl-[3-[(1-pyridin-4-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCCC(NCc1c(C(=O)N2CCOCC2)nc2ccccn12)c1ccncc1
InChIInChI=1S/C21H25N5O2/c1-2-17(16-6-8-22-9-7-16)23-15-18-20(21(27)25-11-13-28-14-12-25)24-19-5-3-4-10-26(18)19/h3-10,17,23H,2,11-15H2,1H3
InChIKeyBLGTXYOHQJCJLO-UHFFFAOYSA-N
XLogP2.44
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3-[(1-pyridin-4-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[3-[(1-pyridin-4-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone (CID 45211784) is morpholin-4-yl-[3-[(1-pyridin-4-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[3-[(1-pyridin-4-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[3-[(1-pyridin-4-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone is CCC(NCc1c(C(=O)N2CCOCC2)nc2ccccn12)c1ccncc1.
What is the InChIKey of morpholin-4-yl-[3-[(1-pyridin-4-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is BLGTXYOHQJCJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-2-17(16-6-8-22-9-7-16)23-15-18-20(21(27)25-11-13-28-14-12-25)24-19-5-3-4-10-26(18)19/h3-10,17,23H,2,11-15H2,1H3.
What are the key properties of morpholin-4-yl-[3-[(1-pyridin-4-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
morpholin-4-yl-[3-[(1-pyridin-4-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 379.46 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3-[(1-pyridin-4-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 45211784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).