1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1H-indazol-4-yl)urea

C20H22FN5O — CID 11383021

IUPAC1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1H-indazol-4-yl)urea
SMILESO=C(NCc1ccc(N2CCCCC2)c(F)c1)Nc1cccc2[nH]ncc12
InChIInChI=1S/C20H22FN5O/c21-16-11-14(7-8-19(16)26-9-2-1-3-10-26)12-22-20(27)24-17-5-4-6-18-15(17)13-23-25-18/h4-8,11,13H,1-3,9-10,12H2,(H,23,25)(H2,22,24,27)
InChIKeyXLPAVICNSHNEJK-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.01
Rot. Bonds4

About 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1H-indazol-4-yl)urea

1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1H-indazol-4-yl)urea (PubChem CID 11383021) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1H-indazol-4-yl)urea
PubChem CID11383021
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1H-indazol-4-yl)urea
SMILESO=C(NCc1ccc(N2CCCCC2)c(F)c1)Nc1cccc2[nH]ncc12
InChIInChI=1S/C20H22FN5O/c21-16-11-14(7-8-19(16)26-9-2-1-3-10-26)12-22-20(27)24-17-5-4-6-18-15(17)13-23-25-18/h4-8,11,13H,1-3,9-10,12H2,(H,23,25)(H2,22,24,27)
InChIKeyXLPAVICNSHNEJK-UHFFFAOYSA-N
XLogP4.01
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(8-azabicyclo[3.2.1]octan-8-yl)-3-fluorophenyl]methyl]-3-(1H-indazol-4-yl)urea
CID 22337705
1-[[4-(8-azabicyclo[3.2.1]octan-8-yl)-3-chlorophenyl]methyl]-3-(1H-indazol-4-yl)urea
CID 22337581
1-[[4-(8-azabicyclo[3.2.1]octan-8-yl)-3-(trichloromethyl)phenyl]methyl]-3-(1H-indazol-4-yl)urea
CID 90937885
1-[[4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2,3-difluorophenyl]methyl]-3-(1H-indazol-4-yl)urea
CID 16749462
1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea
CID 162660450
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110911319
1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 24651164
1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 87003335
1-(1H-indazol-4-yl)-3-[[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]urea
CID 162661041
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 37314134
2-chloro-N-[3-[(4-fluorophenyl)methylcarbamoylamino]-4-piperidin-1-ylphenyl]benzamide
CID 50783204
1-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea
CID 66644415

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1H-indazol-4-yl)urea (CID 11383021) is 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1H-indazol-4-yl)urea is O=C(NCc1ccc(N2CCCCC2)c(F)c1)Nc1cccc2[nH]ncc12.
What is the InChIKey of 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1H-indazol-4-yl)urea?
The InChIKey is XLPAVICNSHNEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c21-16-11-14(7-8-19(16)26-9-2-1-3-10-26)12-22-20(27)24-17-5-4-6-18-15(17)13-23-25-18/h4-8,11,13H,1-3,9-10,12H2,(H,23,25)(H2,22,24,27).
What are the key properties of 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1H-indazol-4-yl)urea?
1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1H-indazol-4-yl)urea has a molecular weight of 367.43 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 11383021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).