6-(2-methoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one

C23H31N7O4 — CID 45272901

IUPAC6-(2-methoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCCCOCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3cnc(OC)nc3)nc21
InChIInChI=1S/C23H31N7O4/c1-3-11-33-14-10-30-21-19(5-4-18(28-21)17-15-25-23(32-2)26-16-17)27-20(22(30)31)24-6-7-29-8-12-34-13-9-29/h4-5,15-16H,3,6-14H2,1-2H3,(H,24,27)
InChIKeyPQSJLIYTBHPCKI-UHFFFAOYSA-N
MW469.55 g/mol
LogP1.43
Rot. Bonds11

About 6-(2-methoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one

6-(2-methoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 45272901) has the molecular formula C23H31N7O4 and a molecular weight of 469.55 g/mol. Its IUPAC name is 6-(2-methoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name6-(2-methoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID45272901
Molecular FormulaC23H31N7O4
Molecular Weight469.55 g/mol
Exact Mass469.24
IUPAC Name6-(2-methoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCCCOCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3cnc(OC)nc3)nc21
InChIInChI=1S/C23H31N7O4/c1-3-11-33-14-10-30-21-19(5-4-18(28-21)17-15-25-23(32-2)26-16-17)27-20(22(30)31)24-6-7-29-8-12-34-13-9-29/h4-5,15-16H,3,6-14H2,1-2H3,(H,24,27)
InChIKeyPQSJLIYTBHPCKI-UHFFFAOYSA-N
XLogP1.43
TPSA116.52 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Palbociclib
CID 5330286
N-Ethyl-N'-(4-(4-((3S)-3-methylmorpholin-4-yl)-7-(pyrimidin-2-yl)-5,6,7,8-tetrahydropyrido(3,4-d)pyrimidin-2-yl)phenyl)urea
CID 59239114
N-[4-[2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl]phenyl]ethanamide
CID 24877326
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 34
CID 5330220
8-cyclopropyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330260
Pyrido-[2,3-d]-pyrimidin-7-one 20
CID 5330262
8-cyclohexyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330263
8-cyclopentyl-6-fluoro-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330265
Pyrido-[2,3-d]-pyrimidin-7-one 23
CID 5330266
8-cyclopentyl-6-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330267
Pyrido-[2,3-d]-pyrimidin-7-one 25
CID 5330268

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 6-(2-methoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one (CID 45272901) is 6-(2-methoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 6-(2-methoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 6-(2-methoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one is CCCOCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3cnc(OC)nc3)nc21.
What is the InChIKey of 6-(2-methoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is PQSJLIYTBHPCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O4/c1-3-11-33-14-10-30-21-19(5-4-18(28-21)17-15-25-23(32-2)26-16-17)27-20(22(30)31)24-6-7-29-8-12-34-13-9-29/h4-5,15-16H,3,6-14H2,1-2H3,(H,24,27).
What are the key properties of 6-(2-methoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
6-(2-methoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 469.55 g/mol, XLogP of 1.43, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45272901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).