1-ethyl-3-[3-(3-fluoro-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea

C17H16FN5O2 — CID 58881794

IUPAC1-ethyl-3-[3-(3-fluoro-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(OC)c(F)c3)nc2n1
InChIInChI=1S/C17H16FN5O2/c1-3-19-17(24)23-15-7-5-12-16(22-15)21-13(9-20-12)10-4-6-14(25-2)11(18)8-10/h4-9H,3H2,1-2H3,(H2,19,21,22,23,24)
InChIKeyUOJHSQWQQKZQDI-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.98
Rot. Bonds4

About 1-ethyl-3-[3-(3-fluoro-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea

1-ethyl-3-[3-(3-fluoro-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 58881794) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 1-ethyl-3-[3-(3-fluoro-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-(3-fluoro-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID58881794
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name1-ethyl-3-[3-(3-fluoro-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(OC)c(F)c3)nc2n1
InChIInChI=1S/C17H16FN5O2/c1-3-19-17(24)23-15-7-5-12-16(22-15)21-13(9-20-12)10-4-6-14(25-2)11(18)8-10/h4-9H,3H2,1-2H3,(H2,19,21,22,23,24)
InChIKeyUOJHSQWQQKZQDI-UHFFFAOYSA-N
XLogP2.98
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328263
1-(7-Methoxyquinolin-4-yl)-3-[6-(trifluoromethyl)pyridin-2-yl]urea
CID 49830684
Vuf5574
CID 4046493
4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 11214202
12-Benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11761265
2-(4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-2-ylamino)-N,N-dimethylacetamide
CID 45268652
2-[5-(4-methoxyphenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134143802
3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(4-methoxyphenyl)methyl]propanamide
CID 16009052
(5S)-N-[2-(4-fluorophenoxy)pyrimidin-5-yl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 139600336
6-[(5-Methoxy-2-methyl-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 457336
6-[(3-Fluoro-4-methoxy-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 472849
N2-(3-methoxyphenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 9902671

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(3-fluoro-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-ethyl-3-[3-(3-fluoro-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea (CID 58881794) is 1-ethyl-3-[3-(3-fluoro-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-ethyl-3-[3-(3-fluoro-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-ethyl-3-[3-(3-fluoro-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea is CCNC(=O)Nc1ccc2ncc(-c3ccc(OC)c(F)c3)nc2n1.
What is the InChIKey of 1-ethyl-3-[3-(3-fluoro-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is UOJHSQWQQKZQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-3-19-17(24)23-15-7-5-12-16(22-15)21-13(9-20-12)10-4-6-14(25-2)11(18)8-10/h4-9H,3H2,1-2H3,(H2,19,21,22,23,24).
What are the key properties of 1-ethyl-3-[3-(3-fluoro-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
1-ethyl-3-[3-(3-fluoro-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 341.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(3-fluoro-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 58881794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).