[2-pyridin-2-yl-4-(trifluoromethyl)pyrimidin-5-yl] N-(5-fluoro-3-methylindol-1-yl)carbamate

C20H13F4N5O2 — CID 71134324

IUPAC[2-pyridin-2-yl-4-(trifluoromethyl)pyrimidin-5-yl] N-(5-fluoro-3-methylindol-1-yl)carbamate
SMILESCc1cn(NC(=O)Oc2cnc(-c3ccccn3)nc2C(F)(F)F)c2ccc(F)cc12
InChIInChI=1S/C20H13F4N5O2/c1-11-10-29(15-6-5-12(21)8-13(11)15)28-19(30)31-16-9-26-18(14-4-2-3-7-25-14)27-17(16)20(22,23)24/h2-10H,1H3,(H,28,30)
InChIKeyQXGHLPHVCGDDER-UHFFFAOYSA-N
MW431.35 g/mol
LogP4.70
Rot. Bonds3

About [2-pyridin-2-yl-4-(trifluoromethyl)pyrimidin-5-yl] N-(5-fluoro-3-methylindol-1-yl)carbamate

[2-pyridin-2-yl-4-(trifluoromethyl)pyrimidin-5-yl] N-(5-fluoro-3-methylindol-1-yl)carbamate (PubChem CID 71134324) has the molecular formula C20H13F4N5O2 and a molecular weight of 431.35 g/mol. Its IUPAC name is [2-pyridin-2-yl-4-(trifluoromethyl)pyrimidin-5-yl] N-(5-fluoro-3-methylindol-1-yl)carbamate.

Molecular Properties

Compound Name[2-pyridin-2-yl-4-(trifluoromethyl)pyrimidin-5-yl] N-(5-fluoro-3-methylindol-1-yl)carbamate
PubChem CID71134324
Molecular FormulaC20H13F4N5O2
Molecular Weight431.35 g/mol
Exact Mass431.10
IUPAC Name[2-pyridin-2-yl-4-(trifluoromethyl)pyrimidin-5-yl] N-(5-fluoro-3-methylindol-1-yl)carbamate
SMILESCc1cn(NC(=O)Oc2cnc(-c3ccccn3)nc2C(F)(F)F)c2ccc(F)cc12
InChIInChI=1S/C20H13F4N5O2/c1-11-10-29(15-6-5-12(21)8-13(11)15)28-19(30)31-16-9-26-18(14-4-2-3-7-25-14)27-17(16)20(22,23)24/h2-10H,1H3,(H,28,30)
InChIKeyQXGHLPHVCGDDER-UHFFFAOYSA-N
XLogP4.70
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-pyridin-2-yl-4-(trifluoromethyl)pyrimidin-5-yl] N-(5-fluoro-3-methylindol-1-yl)carbamate?
The IUPAC name of [2-pyridin-2-yl-4-(trifluoromethyl)pyrimidin-5-yl] N-(5-fluoro-3-methylindol-1-yl)carbamate (CID 71134324) is [2-pyridin-2-yl-4-(trifluoromethyl)pyrimidin-5-yl] N-(5-fluoro-3-methylindol-1-yl)carbamate.
What is the SMILES notation for [2-pyridin-2-yl-4-(trifluoromethyl)pyrimidin-5-yl] N-(5-fluoro-3-methylindol-1-yl)carbamate?
The canonical SMILES for [2-pyridin-2-yl-4-(trifluoromethyl)pyrimidin-5-yl] N-(5-fluoro-3-methylindol-1-yl)carbamate is Cc1cn(NC(=O)Oc2cnc(-c3ccccn3)nc2C(F)(F)F)c2ccc(F)cc12.
What is the InChIKey of [2-pyridin-2-yl-4-(trifluoromethyl)pyrimidin-5-yl] N-(5-fluoro-3-methylindol-1-yl)carbamate?
The InChIKey is QXGHLPHVCGDDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O2/c1-11-10-29(15-6-5-12(21)8-13(11)15)28-19(30)31-16-9-26-18(14-4-2-3-7-25-14)27-17(16)20(22,23)24/h2-10H,1H3,(H,28,30).
What are the key properties of [2-pyridin-2-yl-4-(trifluoromethyl)pyrimidin-5-yl] N-(5-fluoro-3-methylindol-1-yl)carbamate?
[2-pyridin-2-yl-4-(trifluoromethyl)pyrimidin-5-yl] N-(5-fluoro-3-methylindol-1-yl)carbamate has a molecular weight of 431.35 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-pyridin-2-yl-4-(trifluoromethyl)pyrimidin-5-yl] N-(5-fluoro-3-methylindol-1-yl)carbamate is sourced from PubChem (CID 71134324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).