3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methyl-1-(1-propanoylpyrrolidin-3-yl)urea

C19H21F2N5O2 — CID 20829906

IUPAC3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methyl-1-(1-propanoylpyrrolidin-3-yl)urea
SMILESCCC(=O)N1CCC(N(C)C(=O)Nc2cnc(-c3cc(F)cc(F)c3)cn2)C1
InChIInChI=1S/C19H21F2N5O2/c1-3-18(27)26-5-4-15(11-26)25(2)19(28)24-17-10-22-16(9-23-17)12-6-13(20)8-14(21)7-12/h6-10,15H,3-5,11H2,1-2H3,(H,23,24,28)
InChIKeyGGQFWCSIHZMBBX-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.90
Rot. Bonds4

About 3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methyl-1-(1-propanoylpyrrolidin-3-yl)urea

3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methyl-1-(1-propanoylpyrrolidin-3-yl)urea (PubChem CID 20829906) has the molecular formula C19H21F2N5O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is 3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methyl-1-(1-propanoylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methyl-1-(1-propanoylpyrrolidin-3-yl)urea
PubChem CID20829906
Molecular FormulaC19H21F2N5O2
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC Name3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methyl-1-(1-propanoylpyrrolidin-3-yl)urea
SMILESCCC(=O)N1CCC(N(C)C(=O)Nc2cnc(-c3cc(F)cc(F)c3)cn2)C1
InChIInChI=1S/C19H21F2N5O2/c1-3-18(27)26-5-4-15(11-26)25(2)19(28)24-17-10-22-16(9-23-17)12-6-13(20)8-14(21)7-12/h6-10,15H,3-5,11H2,1-2H3,(H,23,24,28)
InChIKeyGGQFWCSIHZMBBX-UHFFFAOYSA-N
XLogP2.90
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[[5-(3,5-difluorophenyl)pyrazin-2-yl]carbamoyl-methylamino]pyrrolidine-1-carboxylate
CID 20829969
3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1-methylurea
CID 10275367
3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]urea
CID 10136719
3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]urea;methane
CID 161280002
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methylurea
CID 10226311
3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea
CID 10295548
tert-butyl 3-[[5-(3,5-difluorophenyl)-2-pyridinyl]carbamoyl-methylamino]pyrrolidine-1-carboxylate;3-[5-(3,5-difluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)urea
CID 159649404
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[2-(3,5-difluorophenyl)-1,3-thiazol-5-yl]-1-methylurea
CID 20829850
3-[6-(3,5-difluorophenyl)-3-pyridinyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea
CID 10161144
3-[6-(3,5-difluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propylsulfonylpiperidin-4-yl)urea
CID 10138917
3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea
CID 154764943
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[2-(3,5-difluorophenyl)-1,3-thiazol-4-yl]-1-methylurea
CID 10160974

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methyl-1-(1-propanoylpyrrolidin-3-yl)urea?
The IUPAC name of 3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methyl-1-(1-propanoylpyrrolidin-3-yl)urea (CID 20829906) is 3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methyl-1-(1-propanoylpyrrolidin-3-yl)urea.
What is the SMILES notation for 3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methyl-1-(1-propanoylpyrrolidin-3-yl)urea?
The canonical SMILES for 3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methyl-1-(1-propanoylpyrrolidin-3-yl)urea is CCC(=O)N1CCC(N(C)C(=O)Nc2cnc(-c3cc(F)cc(F)c3)cn2)C1.
What is the InChIKey of 3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methyl-1-(1-propanoylpyrrolidin-3-yl)urea?
The InChIKey is GGQFWCSIHZMBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O2/c1-3-18(27)26-5-4-15(11-26)25(2)19(28)24-17-10-22-16(9-23-17)12-6-13(20)8-14(21)7-12/h6-10,15H,3-5,11H2,1-2H3,(H,23,24,28).
What are the key properties of 3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methyl-1-(1-propanoylpyrrolidin-3-yl)urea?
3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methyl-1-(1-propanoylpyrrolidin-3-yl)urea has a molecular weight of 389.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methyl-1-(1-propanoylpyrrolidin-3-yl)urea is sourced from PubChem (CID 20829906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).