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

C23H20FN5O2 — CID 58881788

IUPAC1-ethyl-3-[3-(3-fluoro-4-phenylmethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(OCc4ccccc4)c(F)c3)nc2n1
InChIInChI=1S/C23H20FN5O2/c1-2-25-23(30)29-21-11-9-18-22(28-21)27-19(13-26-18)16-8-10-20(17(24)12-16)31-14-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3,(H2,25,27,28,29,30)
InChIKeyBQVLHRBRLIDQLO-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.55
Rot. Bonds6

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

1-ethyl-3-[3-(3-fluoro-4-phenylmethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 58881788) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 1-ethyl-3-[3-(3-fluoro-4-phenylmethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-(3-fluoro-4-phenylmethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID58881788
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name1-ethyl-3-[3-(3-fluoro-4-phenylmethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(OCc4ccccc4)c(F)c3)nc2n1
InChIInChI=1S/C23H20FN5O2/c1-2-25-23(30)29-21-11-9-18-22(28-21)27-19(13-26-18)16-8-10-20(17(24)12-16)31-14-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3,(H2,25,27,28,29,30)
InChIKeyBQVLHRBRLIDQLO-UHFFFAOYSA-N
XLogP4.55
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.55
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
6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
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-[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
N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide;hydrochloride
CID 49860621
N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]-4-pyridin-2-ylpiperazine-1-carboxamide;hydrochloride
CID 49860631
N2-(3-methoxyphenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 9902671
N2-(4-methoxyphenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 9967928
N1-(7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10149633

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(3-fluoro-4-phenylmethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-ethyl-3-[3-(3-fluoro-4-phenylmethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea (CID 58881788) is 1-ethyl-3-[3-(3-fluoro-4-phenylmethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-ethyl-3-[3-(3-fluoro-4-phenylmethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-ethyl-3-[3-(3-fluoro-4-phenylmethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea is CCNC(=O)Nc1ccc2ncc(-c3ccc(OCc4ccccc4)c(F)c3)nc2n1.
What is the InChIKey of 1-ethyl-3-[3-(3-fluoro-4-phenylmethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is BQVLHRBRLIDQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-2-25-23(30)29-21-11-9-18-22(28-21)27-19(13-26-18)16-8-10-20(17(24)12-16)31-14-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3,(H2,25,27,28,29,30).
What are the key properties of 1-ethyl-3-[3-(3-fluoro-4-phenylmethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
1-ethyl-3-[3-(3-fluoro-4-phenylmethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 417.44 g/mol, XLogP of 4.55, 6 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-phenylmethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 58881788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).