[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

C31H30N4O3 — CID 177376559

IUPAC[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C31H30N4O3/c36-31(34-13-11-26(12-14-34)33-15-17-37-18-16-33)23-7-5-22(6-8-23)25-9-10-30-32-20-27(35(30)21-25)29-19-24-3-1-2-4-28(24)38-29/h1-10,19-21,26H,11-18H2
InChIKeyJIBSLIWLWMKJGN-UHFFFAOYSA-N
MW506.61 g/mol
LogP5.35
Rot. Bonds4

About [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 177376559) has the molecular formula C31H30N4O3 and a molecular weight of 506.61 g/mol. Its IUPAC name is [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID177376559
Molecular FormulaC31H30N4O3
Molecular Weight506.61 g/mol
Exact Mass506.23
IUPAC Name[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C31H30N4O3/c36-31(34-13-11-26(12-14-34)33-15-17-37-18-16-33)23-7-5-22(6-8-23)25-9-10-30-32-20-27(35(30)21-25)29-19-24-3-1-2-4-28(24)38-29/h1-10,19-21,26H,11-18H2
InChIKeyJIBSLIWLWMKJGN-UHFFFAOYSA-N
XLogP5.35
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 177376559) is [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is JIBSLIWLWMKJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O3/c36-31(34-13-11-26(12-14-34)33-15-17-37-18-16-33)23-7-5-22(6-8-23)25-9-10-30-32-20-27(35(30)21-25)29-19-24-3-1-2-4-28(24)38-29/h1-10,19-21,26H,11-18H2.
What are the key properties of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 506.61 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 177376559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).