1-(5-methylpyrazin-2-yl)-3-[2-(pyridin-3-ylmethoxy)-5-(trifluoromethyl)phenyl]urea

C19H16F3N5O2 — CID 22046483

IUPAC1-(5-methylpyrazin-2-yl)-3-[2-(pyridin-3-ylmethoxy)-5-(trifluoromethyl)phenyl]urea
SMILESCc1cnc(NC(=O)Nc2cc(C(F)(F)F)ccc2OCc2cccnc2)cn1
InChIInChI=1S/C19H16F3N5O2/c1-12-8-25-17(10-24-12)27-18(28)26-15-7-14(19(20,21)22)4-5-16(15)29-11-13-3-2-6-23-9-13/h2-10H,11H2,1H3,(H2,25,26,27,28)
InChIKeyMNLPQUXLIQBKQO-UHFFFAOYSA-N
MW403.36 g/mol
LogP4.42
Rot. Bonds5

About 1-(5-methylpyrazin-2-yl)-3-[2-(pyridin-3-ylmethoxy)-5-(trifluoromethyl)phenyl]urea

1-(5-methylpyrazin-2-yl)-3-[2-(pyridin-3-ylmethoxy)-5-(trifluoromethyl)phenyl]urea (PubChem CID 22046483) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is 1-(5-methylpyrazin-2-yl)-3-[2-(pyridin-3-ylmethoxy)-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-methylpyrazin-2-yl)-3-[2-(pyridin-3-ylmethoxy)-5-(trifluoromethyl)phenyl]urea
PubChem CID22046483
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC Name1-(5-methylpyrazin-2-yl)-3-[2-(pyridin-3-ylmethoxy)-5-(trifluoromethyl)phenyl]urea
SMILESCc1cnc(NC(=O)Nc2cc(C(F)(F)F)ccc2OCc2cccnc2)cn1
InChIInChI=1S/C19H16F3N5O2/c1-12-8-25-17(10-24-12)27-18(28)26-15-7-14(19(20,21)22)4-5-16(15)29-11-13-3-2-6-23-9-13/h2-10H,11H2,1H3,(H2,25,26,27,28)
InChIKeyMNLPQUXLIQBKQO-UHFFFAOYSA-N
XLogP4.42
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
Pyridoimidazolone, 5e
CID 42626193
Urea, N-[4-[(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-N'-[2-methoxy-5-(trifluoromethyl)phenyl]-
CID 42626197
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-methoxyphenyl)pyridin-2-amine
CID 44521019
N,N-Dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-2-pyrazinyl]-1-piperidinecarboxamide
CID 59374169
US10155760, Example 117
CID 118429768
US10155760, Example 120
CID 118429774
US10155760, Example 146
CID 118429917
2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide
CID 122192868
3-(5-Cyanopyrazin-2-yl)-1-[2-methoxy-4-(piperidin-1-ylmethyl)phenyl]urea
CID 23646825
3-(5-Cyanopyrazin-2-yl)-1-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]urea
CID 23646826
3-(5-Cyanopyrazin-2-yl)-1-{2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl}urea
CID 23646827

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrazin-2-yl)-3-[2-(pyridin-3-ylmethoxy)-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(5-methylpyrazin-2-yl)-3-[2-(pyridin-3-ylmethoxy)-5-(trifluoromethyl)phenyl]urea (CID 22046483) is 1-(5-methylpyrazin-2-yl)-3-[2-(pyridin-3-ylmethoxy)-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(5-methylpyrazin-2-yl)-3-[2-(pyridin-3-ylmethoxy)-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(5-methylpyrazin-2-yl)-3-[2-(pyridin-3-ylmethoxy)-5-(trifluoromethyl)phenyl]urea is Cc1cnc(NC(=O)Nc2cc(C(F)(F)F)ccc2OCc2cccnc2)cn1.
What is the InChIKey of 1-(5-methylpyrazin-2-yl)-3-[2-(pyridin-3-ylmethoxy)-5-(trifluoromethyl)phenyl]urea?
The InChIKey is MNLPQUXLIQBKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c1-12-8-25-17(10-24-12)27-18(28)26-15-7-14(19(20,21)22)4-5-16(15)29-11-13-3-2-6-23-9-13/h2-10H,11H2,1H3,(H2,25,26,27,28).
What are the key properties of 1-(5-methylpyrazin-2-yl)-3-[2-(pyridin-3-ylmethoxy)-5-(trifluoromethyl)phenyl]urea?
1-(5-methylpyrazin-2-yl)-3-[2-(pyridin-3-ylmethoxy)-5-(trifluoromethyl)phenyl]urea has a molecular weight of 403.36 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrazin-2-yl)-3-[2-(pyridin-3-ylmethoxy)-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 22046483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).