5-chloro-1-[(1S)-1-cyclopropyl-2-pyridin-2-yloxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one

C22H24ClN5O3 — CID 127047546

IUPAC5-chloro-1-[(1S)-1-cyclopropyl-2-pyridin-2-yloxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one
SMILESCOc1nc(C)c(Nc2nc(Cl)cn([C@H](COc3ccccn3)C3CC3)c2=O)cc1C
InChIInChI=1S/C22H24ClN5O3/c1-13-10-16(14(2)25-21(13)30-3)26-20-22(29)28(11-18(23)27-20)17(15-7-8-15)12-31-19-6-4-5-9-24-19/h4-6,9-11,15,17H,7-8,12H2,1-3H3,(H,26,27)/t17-/m1/s1
InChIKeyZGUNQCSHYSFNJO-QGZVFWFLSA-N
MW441.92 g/mol
LogP4.09
Rot. Bonds8

About 5-chloro-1-[(1S)-1-cyclopropyl-2-pyridin-2-yloxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one

5-chloro-1-[(1S)-1-cyclopropyl-2-pyridin-2-yloxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one (PubChem CID 127047546) has the molecular formula C22H24ClN5O3 and a molecular weight of 441.92 g/mol. Its IUPAC name is 5-chloro-1-[(1S)-1-cyclopropyl-2-pyridin-2-yloxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(1S)-1-cyclopropyl-2-pyridin-2-yloxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one
PubChem CID127047546
Molecular FormulaC22H24ClN5O3
Molecular Weight441.92 g/mol
Exact Mass441.16
IUPAC Name5-chloro-1-[(1S)-1-cyclopropyl-2-pyridin-2-yloxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one
SMILESCOc1nc(C)c(Nc2nc(Cl)cn([C@H](COc3ccccn3)C3CC3)c2=O)cc1C
InChIInChI=1S/C22H24ClN5O3/c1-13-10-16(14(2)25-21(13)30-3)26-20-22(29)28(11-18(23)27-20)17(15-7-8-15)12-31-19-6-4-5-9-24-19/h4-6,9-11,15,17H,7-8,12H2,1-3H3,(H,26,27)/t17-/m1/s1
InChIKeyZGUNQCSHYSFNJO-QGZVFWFLSA-N
XLogP4.09
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(1S)-1-cyclopropyl-2-pyridin-2-yloxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one?
The IUPAC name of 5-chloro-1-[(1S)-1-cyclopropyl-2-pyridin-2-yloxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one (CID 127047546) is 5-chloro-1-[(1S)-1-cyclopropyl-2-pyridin-2-yloxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one.
What is the SMILES notation for 5-chloro-1-[(1S)-1-cyclopropyl-2-pyridin-2-yloxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one?
The canonical SMILES for 5-chloro-1-[(1S)-1-cyclopropyl-2-pyridin-2-yloxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one is COc1nc(C)c(Nc2nc(Cl)cn([C@H](COc3ccccn3)C3CC3)c2=O)cc1C.
What is the InChIKey of 5-chloro-1-[(1S)-1-cyclopropyl-2-pyridin-2-yloxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one?
The InChIKey is ZGUNQCSHYSFNJO-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24ClN5O3/c1-13-10-16(14(2)25-21(13)30-3)26-20-22(29)28(11-18(23)27-20)17(15-7-8-15)12-31-19-6-4-5-9-24-19/h4-6,9-11,15,17H,7-8,12H2,1-3H3,(H,26,27)/t17-/m1/s1.
What are the key properties of 5-chloro-1-[(1S)-1-cyclopropyl-2-pyridin-2-yloxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one?
5-chloro-1-[(1S)-1-cyclopropyl-2-pyridin-2-yloxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one has a molecular weight of 441.92 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(1S)-1-cyclopropyl-2-pyridin-2-yloxyethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one is sourced from PubChem (CID 127047546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).