N-[(1R)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide

C26H27FN4O2 — CID 136850437

IUPACN-[(1R)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)N[C@H](Cc3cc(=O)[nH]c(C)n3)c3ccc(F)cc3)c(C)[nH]c2c1
InChIInChI=1S/C26H27FN4O2/c1-14-9-15(2)26-21(16(3)28-23(26)10-14)13-25(33)31-22(18-5-7-19(27)8-6-18)11-20-12-24(32)30-17(4)29-20/h5-10,12,22,28H,11,13H2,1-4H3,(H,31,33)(H,29,30,32)/t22-/m1/s1
InChIKeyAKLJRCQNIGWZHC-JOCHJYFZSA-N
MW446.53 g/mol
LogP4.27
Rot. Bonds6

About N-[(1R)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide

N-[(1R)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide (PubChem CID 136850437) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide
PubChem CID136850437
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC NameN-[(1R)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)N[C@H](Cc3cc(=O)[nH]c(C)n3)c3ccc(F)cc3)c(C)[nH]c2c1
InChIInChI=1S/C26H27FN4O2/c1-14-9-15(2)26-21(16(3)28-23(26)10-14)13-25(33)31-22(18-5-7-19(27)8-6-18)11-20-12-24(32)30-17(4)29-20/h5-10,12,22,28H,11,13H2,1-4H3,(H,31,33)(H,29,30,32)/t22-/m1/s1
InChIKeyAKLJRCQNIGWZHC-JOCHJYFZSA-N
XLogP4.27
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide (CID 136850437) is N-[(1R)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide is Cc1cc(C)c2c(CC(=O)N[C@H](Cc3cc(=O)[nH]c(C)n3)c3ccc(F)cc3)c(C)[nH]c2c1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide?
The InChIKey is AKLJRCQNIGWZHC-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-14-9-15(2)26-21(16(3)28-23(26)10-14)13-25(33)31-22(18-5-7-19(27)8-6-18)11-20-12-24(32)30-17(4)29-20/h5-10,12,22,28H,11,13H2,1-4H3,(H,31,33)(H,29,30,32)/t22-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide?
N-[(1R)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide has a molecular weight of 446.53 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 136850437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).