5-chloro-1-(2-cyclopropyl-3-methoxypropyl)-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one

C19H25ClN4O2 — CID 90780236

IUPAC5-chloro-1-(2-cyclopropyl-3-methoxypropyl)-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one
SMILESCOCC(Cn1cc(Cl)nc(Nc2cc(C)c(C)nc2C)c1=O)C1CC1
InChIInChI=1S/C19H25ClN4O2/c1-11-7-16(13(3)21-12(11)2)22-18-19(25)24(9-17(20)23-18)8-15(10-26-4)14-5-6-14/h7,9,14-15H,5-6,8,10H2,1-4H3,(H,22,23)
InChIKeyFBXFRRPNCVHOGP-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.63
Rot. Bonds7

About 5-chloro-1-(2-cyclopropyl-3-methoxypropyl)-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one

5-chloro-1-(2-cyclopropyl-3-methoxypropyl)-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one (PubChem CID 90780236) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 5-chloro-1-(2-cyclopropyl-3-methoxypropyl)-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-1-(2-cyclopropyl-3-methoxypropyl)-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one
PubChem CID90780236
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name5-chloro-1-(2-cyclopropyl-3-methoxypropyl)-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one
SMILESCOCC(Cn1cc(Cl)nc(Nc2cc(C)c(C)nc2C)c1=O)C1CC1
InChIInChI=1S/C19H25ClN4O2/c1-11-7-16(13(3)21-12(11)2)22-18-19(25)24(9-17(20)23-18)8-15(10-26-4)14-5-6-14/h7,9,14-15H,5-6,8,10H2,1-4H3,(H,22,23)
InChIKeyFBXFRRPNCVHOGP-UHFFFAOYSA-N
XLogP3.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-cyclopropyl-3-methoxypropyl)-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one?
The IUPAC name of 5-chloro-1-(2-cyclopropyl-3-methoxypropyl)-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one (CID 90780236) is 5-chloro-1-(2-cyclopropyl-3-methoxypropyl)-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one.
What is the SMILES notation for 5-chloro-1-(2-cyclopropyl-3-methoxypropyl)-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one?
The canonical SMILES for 5-chloro-1-(2-cyclopropyl-3-methoxypropyl)-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one is COCC(Cn1cc(Cl)nc(Nc2cc(C)c(C)nc2C)c1=O)C1CC1.
What is the InChIKey of 5-chloro-1-(2-cyclopropyl-3-methoxypropyl)-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one?
The InChIKey is FBXFRRPNCVHOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-11-7-16(13(3)21-12(11)2)22-18-19(25)24(9-17(20)23-18)8-15(10-26-4)14-5-6-14/h7,9,14-15H,5-6,8,10H2,1-4H3,(H,22,23).
What are the key properties of 5-chloro-1-(2-cyclopropyl-3-methoxypropyl)-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one?
5-chloro-1-(2-cyclopropyl-3-methoxypropyl)-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one has a molecular weight of 376.89 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-cyclopropyl-3-methoxypropyl)-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one is sourced from PubChem (CID 90780236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).