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

C32H32N4O2 — CID 177376560

IUPAC[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C32H32N4O2/c37-32(35-18-14-27(15-19-35)34-16-4-1-5-17-34)24-10-8-23(9-11-24)26-12-13-31-33-21-28(36(31)22-26)30-20-25-6-2-3-7-29(25)38-30/h2-3,6-13,20-22,27H,1,4-5,14-19H2
InChIKeyAJGPWESAFONVCG-UHFFFAOYSA-N
MW504.63 g/mol
LogP6.51
Rot. Bonds4

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

[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 177376560) has the molecular formula C32H32N4O2 and a molecular weight of 504.63 g/mol. Its IUPAC name is [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID177376560
Molecular FormulaC32H32N4O2
Molecular Weight504.63 g/mol
Exact Mass504.25
IUPAC Name[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C32H32N4O2/c37-32(35-18-14-27(15-19-35)34-16-4-1-5-17-34)24-10-8-23(9-11-24)26-12-13-31-33-21-28(36(31)22-26)30-20-25-6-2-3-7-29(25)38-30/h2-3,6-13,20-22,27H,1,4-5,14-19H2
InChIKeyAJGPWESAFONVCG-UHFFFAOYSA-N
XLogP6.51
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 177376560) is [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-piperidin-1-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-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is AJGPWESAFONVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O2/c37-32(35-18-14-27(15-19-35)34-16-4-1-5-17-34)24-10-8-23(9-11-24)26-12-13-31-33-21-28(36(31)22-26)30-20-25-6-2-3-7-29(25)38-30/h2-3,6-13,20-22,27H,1,4-5,14-19H2.
What are the key properties of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 504.63 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 177376560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).