[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate

C20H13F4N5O2 — CID 71134327

IUPAC[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate
SMILESCc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1cc(C(F)(F)F)c2ccncc21
InChIInChI=1S/C20H13F4N5O2/c1-11-17(9-26-18(27-11)12-3-2-4-13(21)7-12)31-19(30)28-29-10-15(20(22,23)24)14-5-6-25-8-16(14)29/h2-10H,1H3,(H,28,30)
InChIKeyHORYKBCDVFISAC-UHFFFAOYSA-N
MW431.35 g/mol
LogP4.70
Rot. Bonds3

About [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate

[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate (PubChem CID 71134327) has the molecular formula C20H13F4N5O2 and a molecular weight of 431.35 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate
PubChem CID71134327
Molecular FormulaC20H13F4N5O2
Molecular Weight431.35 g/mol
Exact Mass431.10
IUPAC Name[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate
SMILESCc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1cc(C(F)(F)F)c2ccncc21
InChIInChI=1S/C20H13F4N5O2/c1-11-17(9-26-18(27-11)12-3-2-4-13(21)7-12)31-19(30)28-29-10-15(20(22,23)24)14-5-6-25-8-16(14)29/h2-10H,1H3,(H,28,30)
InChIKeyHORYKBCDVFISAC-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-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate?
The IUPAC name of [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate (CID 71134327) is [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate.
What is the SMILES notation for [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate?
The canonical SMILES for [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate is Cc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1cc(C(F)(F)F)c2ccncc21.
What is the InChIKey of [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate?
The InChIKey is HORYKBCDVFISAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O2/c1-11-17(9-26-18(27-11)12-3-2-4-13(21)7-12)31-19(30)28-29-10-15(20(22,23)24)14-5-6-25-8-16(14)29/h2-10H,1H3,(H,28,30).
What are the key properties of [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate?
[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-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-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate is sourced from PubChem (CID 71134327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).