4-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-1-(7-chloro-6-fluoroquinazolin-2-yl)piperidin-2-one

C24H22ClFN6O2 — CID 58547680

IUPAC4-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-1-(7-chloro-6-fluoroquinazolin-2-yl)piperidin-2-one
SMILESCC(=O)N1CC=C(c2nccnc2C2CCN(c3ncc4cc(F)c(Cl)cc4n3)C(=O)C2)CC1
InChIInChI=1S/C24H22ClFN6O2/c1-14(33)31-7-2-15(3-8-31)22-23(28-6-5-27-22)16-4-9-32(21(34)11-16)24-29-13-17-10-19(26)18(25)12-20(17)30-24/h2,5-6,10,12-13,16H,3-4,7-9,11H2,1H3
InChIKeyISYOLSWGUXZLAH-UHFFFAOYSA-N
MW480.93 g/mol
LogP3.76
Rot. Bonds3

About 4-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-1-(7-chloro-6-fluoroquinazolin-2-yl)piperidin-2-one

4-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-1-(7-chloro-6-fluoroquinazolin-2-yl)piperidin-2-one (PubChem CID 58547680) has the molecular formula C24H22ClFN6O2 and a molecular weight of 480.93 g/mol. Its IUPAC name is 4-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-1-(7-chloro-6-fluoroquinazolin-2-yl)piperidin-2-one.

Molecular Properties

Compound Name4-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-1-(7-chloro-6-fluoroquinazolin-2-yl)piperidin-2-one
PubChem CID58547680
Molecular FormulaC24H22ClFN6O2
Molecular Weight480.93 g/mol
Exact Mass480.15
IUPAC Name4-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-1-(7-chloro-6-fluoroquinazolin-2-yl)piperidin-2-one
SMILESCC(=O)N1CC=C(c2nccnc2C2CCN(c3ncc4cc(F)c(Cl)cc4n3)C(=O)C2)CC1
InChIInChI=1S/C24H22ClFN6O2/c1-14(33)31-7-2-15(3-8-31)22-23(28-6-5-27-22)16-4-9-32(21(34)11-16)24-29-13-17-10-19(26)18(25)12-20(17)30-24/h2,5-6,10,12-13,16H,3-4,7-9,11H2,1H3
InChIKeyISYOLSWGUXZLAH-UHFFFAOYSA-N
XLogP3.76
TPSA92.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.93
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-1-(7-chloro-6-fluoroquinazolin-2-yl)piperidin-2-one?
The IUPAC name of 4-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-1-(7-chloro-6-fluoroquinazolin-2-yl)piperidin-2-one (CID 58547680) is 4-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-1-(7-chloro-6-fluoroquinazolin-2-yl)piperidin-2-one.
What is the SMILES notation for 4-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-1-(7-chloro-6-fluoroquinazolin-2-yl)piperidin-2-one?
The canonical SMILES for 4-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-1-(7-chloro-6-fluoroquinazolin-2-yl)piperidin-2-one is CC(=O)N1CC=C(c2nccnc2C2CCN(c3ncc4cc(F)c(Cl)cc4n3)C(=O)C2)CC1.
What is the InChIKey of 4-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-1-(7-chloro-6-fluoroquinazolin-2-yl)piperidin-2-one?
The InChIKey is ISYOLSWGUXZLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN6O2/c1-14(33)31-7-2-15(3-8-31)22-23(28-6-5-27-22)16-4-9-32(21(34)11-16)24-29-13-17-10-19(26)18(25)12-20(17)30-24/h2,5-6,10,12-13,16H,3-4,7-9,11H2,1H3.
What are the key properties of 4-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-1-(7-chloro-6-fluoroquinazolin-2-yl)piperidin-2-one?
4-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-1-(7-chloro-6-fluoroquinazolin-2-yl)piperidin-2-one has a molecular weight of 480.93 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-1-(7-chloro-6-fluoroquinazolin-2-yl)piperidin-2-one is sourced from PubChem (CID 58547680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).