[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]carbamate

C19H19F3N4O3 — CID 122684626

IUPAC[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]carbamate
SMILESO=C(N[C@@H](c1ccccn1)C(F)(F)F)Oc1cnc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C19H19F3N4O3/c20-19(21,22)16(13-3-1-2-8-23-13)26-18(27)29-14-9-24-15(12-6-7-12)17(25-14)28-10-11-4-5-11/h1-3,8-9,11-12,16H,4-7,10H2,(H,26,27)/t16-/m0/s1
InChIKeyUOAWRQFQGGTVEF-INIZCTEOSA-N
MW408.38 g/mol
LogP3.93
Rot. Bonds7

About [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]carbamate

[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]carbamate (PubChem CID 122684626) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]carbamate.

Molecular Properties

Compound Name[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]carbamate
PubChem CID122684626
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC Name[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]carbamate
SMILESO=C(N[C@@H](c1ccccn1)C(F)(F)F)Oc1cnc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C19H19F3N4O3/c20-19(21,22)16(13-3-1-2-8-23-13)26-18(27)29-14-9-24-15(12-6-7-12)17(25-14)28-10-11-4-5-11/h1-3,8-9,11-12,16H,4-7,10H2,(H,26,27)/t16-/m0/s1
InChIKeyUOAWRQFQGGTVEF-INIZCTEOSA-N
XLogP3.93
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]carbamate?
The IUPAC name of [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]carbamate (CID 122684626) is [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]carbamate.
What is the SMILES notation for [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]carbamate?
The canonical SMILES for [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]carbamate is O=C(N[C@@H](c1ccccn1)C(F)(F)F)Oc1cnc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]carbamate?
The InChIKey is UOAWRQFQGGTVEF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c20-19(21,22)16(13-3-1-2-8-23-13)26-18(27)29-14-9-24-15(12-6-7-12)17(25-14)28-10-11-4-5-11/h1-3,8-9,11-12,16H,4-7,10H2,(H,26,27)/t16-/m0/s1.
What are the key properties of [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]carbamate?
[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]carbamate has a molecular weight of 408.38 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]carbamate is sourced from PubChem (CID 122684626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).