1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea

C23H26F3N3O2 — CID 10477981

IUPAC1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)c(N2CCCC2)c1)Nc1cccc2c1C[C@H](O)CC2
InChIInChI=1S/C23H26F3N3O2/c24-23(25,26)19-9-6-15(12-21(19)29-10-1-2-11-29)14-27-22(31)28-20-5-3-4-16-7-8-17(30)13-18(16)20/h3-6,9,12,17,30H,1-2,7-8,10-11,13-14H2,(H2,27,28,31)/t17-/m1/s1
InChIKeyYLIZAPUBDWCSLQ-QGZVFWFLSA-N
MW433.47 g/mol
LogP4.48
Rot. Bonds4

About 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea

1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 10477981) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea
PubChem CID10477981
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC Name1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)c(N2CCCC2)c1)Nc1cccc2c1C[C@H](O)CC2
InChIInChI=1S/C23H26F3N3O2/c24-23(25,26)19-9-6-15(12-21(19)29-10-1-2-11-29)14-27-22(31)28-20-5-3-4-16-7-8-17(30)13-18(16)20/h3-6,9,12,17,30H,1-2,7-8,10-11,13-14H2,(H2,27,28,31)/t17-/m1/s1
InChIKeyYLIZAPUBDWCSLQ-QGZVFWFLSA-N
XLogP4.48
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]urea
CID 10433743
1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 124636229
ethane;1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 143038403
1-[[3-(2,6-difluorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 59731004
1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea
CID 59666305
1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[2-(2-piperidin-1-ylphenoxy)ethyl]urea
CID 71168436
1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-(3-nitrophenyl)phenyl]methyl]urea
CID 59731017
1-[[4-(2,5-dichlorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 59731025
1-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 10367070
N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 59666253
1-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 66685021
N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 19696265

Frequently Asked Questions

What is the IUPAC name of 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea (CID 10477981) is 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea is O=C(NCc1ccc(C(F)(F)F)c(N2CCCC2)c1)Nc1cccc2c1C[C@H](O)CC2.
What is the InChIKey of 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is YLIZAPUBDWCSLQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c24-23(25,26)19-9-6-15(12-21(19)29-10-1-2-11-29)14-27-22(31)28-20-5-3-4-16-7-8-17(30)13-18(16)20/h3-6,9,12,17,30H,1-2,7-8,10-11,13-14H2,(H2,27,28,31)/t17-/m1/s1.
What are the key properties of 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea?
1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 433.47 g/mol, XLogP of 4.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 10477981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).