(2S)-7-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1,2,5-trimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one

C24H25FN4O2 — CID 146202888

IUPAC(2S)-7-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1,2,5-trimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCc1nc(NCc2ccc(OCc3ccc(F)cc3)cc2)cc2c1NC(=O)[C@H](C)N2C
InChIInChI=1S/C24H25FN4O2/c1-15-23-21(29(3)16(2)24(30)28-23)12-22(27-15)26-13-17-6-10-20(11-7-17)31-14-18-4-8-19(25)9-5-18/h4-12,16H,13-14H2,1-3H3,(H,26,27)(H,28,30)/t16-/m0/s1
InChIKeyVGGWWKLTJZITDS-INIZCTEOSA-N
MW420.49 g/mol
LogP4.50
Rot. Bonds6

About (2S)-7-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1,2,5-trimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one

(2S)-7-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1,2,5-trimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 146202888) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is (2S)-7-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1,2,5-trimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name(2S)-7-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1,2,5-trimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
PubChem CID146202888
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name(2S)-7-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1,2,5-trimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCc1nc(NCc2ccc(OCc3ccc(F)cc3)cc2)cc2c1NC(=O)[C@H](C)N2C
InChIInChI=1S/C24H25FN4O2/c1-15-23-21(29(3)16(2)24(30)28-23)12-22(27-15)26-13-17-6-10-20(11-7-17)31-14-18-4-8-19(25)9-5-18/h4-12,16H,13-14H2,1-3H3,(H,26,27)(H,28,30)/t16-/m0/s1
InChIKeyVGGWWKLTJZITDS-INIZCTEOSA-N
XLogP4.50
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-7-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1,2,5-trimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The IUPAC name of (2S)-7-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1,2,5-trimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 146202888) is (2S)-7-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1,2,5-trimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for (2S)-7-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1,2,5-trimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for (2S)-7-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1,2,5-trimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is Cc1nc(NCc2ccc(OCc3ccc(F)cc3)cc2)cc2c1NC(=O)[C@H](C)N2C.
What is the InChIKey of (2S)-7-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1,2,5-trimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The InChIKey is VGGWWKLTJZITDS-INIZCTEOSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-15-23-21(29(3)16(2)24(30)28-23)12-22(27-15)26-13-17-6-10-20(11-7-17)31-14-18-4-8-19(25)9-5-18/h4-12,16H,13-14H2,1-3H3,(H,26,27)(H,28,30)/t16-/m0/s1.
What are the key properties of (2S)-7-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1,2,5-trimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
(2S)-7-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1,2,5-trimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 420.49 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1,2,5-trimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 146202888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).