4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine

C24H21ClFN5O2 — CID 157045102

IUPAC4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine
SMILESCOc1cc(C2CN(c3cc4nc(C)cnc4c(-c4ccc(Cl)cc4F)n3)CCO2)ccn1
InChIInChI=1S/C24H21ClFN5O2/c1-14-12-28-24-19(29-14)11-21(30-23(24)17-4-3-16(25)10-18(17)26)31-7-8-33-20(13-31)15-5-6-27-22(9-15)32-2/h3-6,9-12,20H,7-8,13H2,1-2H3
InChIKeyYKUNPDVTCYQPPW-UHFFFAOYSA-N
MW465.92 g/mol
LogP4.77
Rot. Bonds4

About 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine

4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine (PubChem CID 157045102) has the molecular formula C24H21ClFN5O2 and a molecular weight of 465.92 g/mol. Its IUPAC name is 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine.

Molecular Properties

Compound Name4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine
PubChem CID157045102
Molecular FormulaC24H21ClFN5O2
Molecular Weight465.92 g/mol
Exact Mass465.14
IUPAC Name4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine
SMILESCOc1cc(C2CN(c3cc4nc(C)cnc4c(-c4ccc(Cl)cc4F)n3)CCO2)ccn1
InChIInChI=1S/C24H21ClFN5O2/c1-14-12-28-24-19(29-14)11-21(30-23(24)17-4-3-16(25)10-18(17)26)31-7-8-33-20(13-31)15-5-6-27-22(9-15)32-2/h3-6,9-12,20H,7-8,13H2,1-2H3
InChIKeyYKUNPDVTCYQPPW-UHFFFAOYSA-N
XLogP4.77
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.92
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine with MolForge

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Related Compounds

6-[[[1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 44529194
2-[[4-[6-[(4-Chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine
CID 168295496
2-[4-[3-(3-Chloro-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
CID 54670674
2-[4-[3-(2-Methoxy-3-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
CID 58548138
3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-methyl-N-[(3R)-oxolan-3-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118320531
3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-methyl-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118320532
US10172859, Example 227
CID 118966394
US10172859, Example 231
CID 118966396
US10172859, Example 240
CID 118966397
US20230399327, Example 40
CID 163272414
N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine
CID 127024640
2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-6,7-difluoroquinolin-4-amine
CID 127053101

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine?
The IUPAC name of 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine (CID 157045102) is 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine.
What is the SMILES notation for 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine?
The canonical SMILES for 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine is COc1cc(C2CN(c3cc4nc(C)cnc4c(-c4ccc(Cl)cc4F)n3)CCO2)ccn1.
What is the InChIKey of 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine?
The InChIKey is YKUNPDVTCYQPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O2/c1-14-12-28-24-19(29-14)11-21(30-23(24)17-4-3-16(25)10-18(17)26)31-7-8-33-20(13-31)15-5-6-27-22(9-15)32-2/h3-6,9-12,20H,7-8,13H2,1-2H3.
What are the key properties of 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine?
4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine has a molecular weight of 465.92 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine is sourced from PubChem (CID 157045102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).