[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl] N-methyl-N-(2,2,2-trifluoroethyl)carbamate

C19H20F3N5O2 — CID 130362054

IUPAC[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl] N-methyl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCN(CC(F)(F)F)C(=O)OC1CCCN(c2nccc3cnc4[nH]ccc4c23)C1
InChIInChI=1S/C19H20F3N5O2/c1-26(11-19(20,21)22)18(28)29-13-3-2-8-27(10-13)17-15-12(4-6-24-17)9-25-16-14(15)5-7-23-16/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,23,25)
InChIKeyPUCFLEYVXKKWDD-UHFFFAOYSA-N
MW407.40 g/mol
LogP3.71
Rot. Bonds3

About [1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl] N-methyl-N-(2,2,2-trifluoroethyl)carbamate

[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl] N-methyl-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 130362054) has the molecular formula C19H20F3N5O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is [1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl] N-methyl-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Name[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl] N-methyl-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID130362054
Molecular FormulaC19H20F3N5O2
Molecular Weight407.40 g/mol
Exact Mass407.16
IUPAC Name[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl] N-methyl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCN(CC(F)(F)F)C(=O)OC1CCCN(c2nccc3cnc4[nH]ccc4c23)C1
InChIInChI=1S/C19H20F3N5O2/c1-26(11-19(20,21)22)18(28)29-13-3-2-8-27(10-13)17-15-12(4-6-24-17)9-25-16-14(15)5-7-23-16/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,23,25)
InChIKeyPUCFLEYVXKKWDD-UHFFFAOYSA-N
XLogP3.71
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl] N-methyl-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of [1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl] N-methyl-N-(2,2,2-trifluoroethyl)carbamate (CID 130362054) is [1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl] N-methyl-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for [1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl] N-methyl-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for [1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl] N-methyl-N-(2,2,2-trifluoroethyl)carbamate is CN(CC(F)(F)F)C(=O)OC1CCCN(c2nccc3cnc4[nH]ccc4c23)C1.
What is the InChIKey of [1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl] N-methyl-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is PUCFLEYVXKKWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2/c1-26(11-19(20,21)22)18(28)29-13-3-2-8-27(10-13)17-15-12(4-6-24-17)9-25-16-14(15)5-7-23-16/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,23,25).
What are the key properties of [1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl] N-methyl-N-(2,2,2-trifluoroethyl)carbamate?
[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl] N-methyl-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 407.40 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl] N-methyl-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 130362054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).