[3-[2-(furan-2-yl)-1-methylimidazo[4,5-c]pyridin-7-yl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone

C28H26N6O2 — CID 44528228

IUPAC[3-[2-(furan-2-yl)-1-methylimidazo[4,5-c]pyridin-7-yl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3cccc(-c4cncc5nc(-c6ccco6)n(C)c45)c3)CC2)nc1
InChIInChI=1S/C28H26N6O2/c1-19-8-9-25(30-16-19)33-10-12-34(13-11-33)28(35)21-6-3-5-20(15-21)22-17-29-18-23-26(22)32(2)27(31-23)24-7-4-14-36-24/h3-9,14-18H,10-13H2,1-2H3
InChIKeyAVYSORMYQOVMEZ-UHFFFAOYSA-N
MW478.56 g/mol
LogP4.56
Rot. Bonds4

About [3-[2-(furan-2-yl)-1-methylimidazo[4,5-c]pyridin-7-yl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone

[3-[2-(furan-2-yl)-1-methylimidazo[4,5-c]pyridin-7-yl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 44528228) has the molecular formula C28H26N6O2 and a molecular weight of 478.56 g/mol. Its IUPAC name is [3-[2-(furan-2-yl)-1-methylimidazo[4,5-c]pyridin-7-yl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-[2-(furan-2-yl)-1-methylimidazo[4,5-c]pyridin-7-yl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID44528228
Molecular FormulaC28H26N6O2
Molecular Weight478.56 g/mol
Exact Mass478.21
IUPAC Name[3-[2-(furan-2-yl)-1-methylimidazo[4,5-c]pyridin-7-yl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3cccc(-c4cncc5nc(-c6ccco6)n(C)c45)c3)CC2)nc1
InChIInChI=1S/C28H26N6O2/c1-19-8-9-25(30-16-19)33-10-12-34(13-11-33)28(35)21-6-3-5-20(15-21)22-17-29-18-23-26(22)32(2)27(31-23)24-7-4-14-36-24/h3-9,14-18H,10-13H2,1-2H3
InChIKeyAVYSORMYQOVMEZ-UHFFFAOYSA-N
XLogP4.56
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(furan-2-yl)-1-methylimidazo[4,5-c]pyridin-7-yl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of [3-[2-(furan-2-yl)-1-methylimidazo[4,5-c]pyridin-7-yl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone (CID 44528228) is [3-[2-(furan-2-yl)-1-methylimidazo[4,5-c]pyridin-7-yl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-[2-(furan-2-yl)-1-methylimidazo[4,5-c]pyridin-7-yl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-[2-(furan-2-yl)-1-methylimidazo[4,5-c]pyridin-7-yl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone is Cc1ccc(N2CCN(C(=O)c3cccc(-c4cncc5nc(-c6ccco6)n(C)c45)c3)CC2)nc1.
What is the InChIKey of [3-[2-(furan-2-yl)-1-methylimidazo[4,5-c]pyridin-7-yl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is AVYSORMYQOVMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O2/c1-19-8-9-25(30-16-19)33-10-12-34(13-11-33)28(35)21-6-3-5-20(15-21)22-17-29-18-23-26(22)32(2)27(31-23)24-7-4-14-36-24/h3-9,14-18H,10-13H2,1-2H3.
What are the key properties of [3-[2-(furan-2-yl)-1-methylimidazo[4,5-c]pyridin-7-yl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone?
[3-[2-(furan-2-yl)-1-methylimidazo[4,5-c]pyridin-7-yl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 478.56 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(furan-2-yl)-1-methylimidazo[4,5-c]pyridin-7-yl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 44528228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).