1-[4-fluoro-2-(1-piperidin-3-ylethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea

C19H24FN5O2 — CID 22046262

IUPAC1-[4-fluoro-2-(1-piperidin-3-ylethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea
SMILESCc1cnc(NC(=O)Nc2ccc(F)cc2OC(C)C2CCCNC2)cn1
InChIInChI=1S/C19H24FN5O2/c1-12-9-23-18(11-22-12)25-19(26)24-16-6-5-15(20)8-17(16)27-13(2)14-4-3-7-21-10-14/h5-6,8-9,11,13-14,21H,3-4,7,10H2,1-2H3,(H2,23,24,25,26)
InChIKeyMFPMURZWUBZAMS-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.34
Rot. Bonds5

About 1-[4-fluoro-2-(1-piperidin-3-ylethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea

1-[4-fluoro-2-(1-piperidin-3-ylethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea (PubChem CID 22046262) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-[4-fluoro-2-(1-piperidin-3-ylethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea.

Molecular Properties

Compound Name1-[4-fluoro-2-(1-piperidin-3-ylethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea
PubChem CID22046262
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name1-[4-fluoro-2-(1-piperidin-3-ylethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea
SMILESCc1cnc(NC(=O)Nc2ccc(F)cc2OC(C)C2CCCNC2)cn1
InChIInChI=1S/C19H24FN5O2/c1-12-9-23-18(11-22-12)25-19(26)24-16-6-5-15(20)8-17(16)27-13(2)14-4-3-7-21-10-14/h5-6,8-9,11,13-14,21H,3-4,7,10H2,1-2H3,(H2,23,24,25,26)
InChIKeyMFPMURZWUBZAMS-UHFFFAOYSA-N
XLogP3.34
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide
CID 81124349
1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 122147106
N-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119771660
1-[5-methyl-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11956016
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride
CID 119333297
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
1-[5-chloro-2-[(1-methylpiperazin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11956017
N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119324692
1-(2-fluoro-5-piperidin-3-yloxyphenyl)-3-(6-methyl-3-pyridinyl)urea
CID 142676191
1-(2,4-difluorophenyl)-3-(1-pyrrolidin-3-ylethyl)urea
CID 103977256
1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea
CID 143303789
1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea
CID 47202448

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(1-piperidin-3-ylethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea?
The IUPAC name of 1-[4-fluoro-2-(1-piperidin-3-ylethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea (CID 22046262) is 1-[4-fluoro-2-(1-piperidin-3-ylethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea.
What is the SMILES notation for 1-[4-fluoro-2-(1-piperidin-3-ylethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea?
The canonical SMILES for 1-[4-fluoro-2-(1-piperidin-3-ylethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea is Cc1cnc(NC(=O)Nc2ccc(F)cc2OC(C)C2CCCNC2)cn1.
What is the InChIKey of 1-[4-fluoro-2-(1-piperidin-3-ylethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea?
The InChIKey is MFPMURZWUBZAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-12-9-23-18(11-22-12)25-19(26)24-16-6-5-15(20)8-17(16)27-13(2)14-4-3-7-21-10-14/h5-6,8-9,11,13-14,21H,3-4,7,10H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 1-[4-fluoro-2-(1-piperidin-3-ylethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea?
1-[4-fluoro-2-(1-piperidin-3-ylethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea has a molecular weight of 373.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(1-piperidin-3-ylethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea is sourced from PubChem (CID 22046262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).