N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide

C25H33FN6O3 — CID 1026200

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)N2CCN(c3ccccc3F)CC2)CCN2CCOCC2)cn1
InChIInChI=1S/C25H33FN6O3/c1-20-18-28-22(19-27-20)25(34)32(9-8-29-14-16-35-17-15-29)7-6-24(33)31-12-10-30(11-13-31)23-5-3-2-4-21(23)26/h2-5,18-19H,6-17H2,1H3
InChIKeyBYIPYJFGUSRLQM-UHFFFAOYSA-N
MW484.58 g/mol
LogP1.44
Rot. Bonds8

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide (PubChem CID 1026200) has the molecular formula C25H33FN6O3 and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
PubChem CID1026200
Molecular FormulaC25H33FN6O3
Molecular Weight484.58 g/mol
Exact Mass484.26
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)N2CCN(c3ccccc3F)CC2)CCN2CCOCC2)cn1
InChIInChI=1S/C25H33FN6O3/c1-20-18-28-22(19-27-20)25(34)32(9-8-29-14-16-35-17-15-29)7-6-24(33)31-12-10-30(11-13-31)23-5-3-2-4-21(23)26/h2-5,18-19H,6-17H2,1H3
InChIKeyBYIPYJFGUSRLQM-UHFFFAOYSA-N
XLogP1.44
TPSA82.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 5151128
5-methyl-N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide
CID 4174718
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide
CID 4182971
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 42783180
5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 42783038
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 1026321
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026347
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109029805
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943475
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688452
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-benzyl-5-methylpyrazine-2-carboxamide
CID 1026333
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide
CID 5127582

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide (CID 1026200) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide is Cc1cnc(C(=O)N(CCC(=O)N2CCN(c3ccccc3F)CC2)CCN2CCOCC2)cn1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide?
The InChIKey is BYIPYJFGUSRLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN6O3/c1-20-18-28-22(19-27-20)25(34)32(9-8-29-14-16-35-17-15-29)7-6-24(33)31-12-10-30(11-13-31)23-5-3-2-4-21(23)26/h2-5,18-19H,6-17H2,1H3.
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 1.44, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 1026200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).