6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one

C24H29F2N5O3 — CID 45272043

IUPAC6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCC(C)OCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3ccc(F)c(F)c3)nc21
InChIInChI=1S/C24H29F2N5O3/c1-16(2)34-14-11-31-23-21(6-5-20(29-23)17-3-4-18(25)19(26)15-17)28-22(24(31)32)27-7-8-30-9-12-33-13-10-30/h3-6,15-16H,7-14H2,1-2H3,(H,27,28)
InChIKeyNKLMCIJPUJKABQ-UHFFFAOYSA-N
MW473.52 g/mol
LogP2.91
Rot. Bonds9

About 6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one

6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 45272043) has the molecular formula C24H29F2N5O3 and a molecular weight of 473.52 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID45272043
Molecular FormulaC24H29F2N5O3
Molecular Weight473.52 g/mol
Exact Mass473.22
IUPAC Name6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCC(C)OCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3ccc(F)c(F)c3)nc21
InChIInChI=1S/C24H29F2N5O3/c1-16(2)34-14-11-31-23-21(6-5-20(29-23)17-3-4-18(25)19(26)15-17)28-22(24(31)32)27-7-8-30-9-12-33-13-10-30/h3-6,15-16H,7-14H2,1-2H3,(H,27,28)
InChIKeyNKLMCIJPUJKABQ-UHFFFAOYSA-N
XLogP2.91
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one (CID 45272043) is 6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one is CC(C)OCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3ccc(F)c(F)c3)nc21.
What is the InChIKey of 6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is NKLMCIJPUJKABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N5O3/c1-16(2)34-14-11-31-23-21(6-5-20(29-23)17-3-4-18(25)19(26)15-17)28-22(24(31)32)27-7-8-30-9-12-33-13-10-30/h3-6,15-16H,7-14H2,1-2H3,(H,27,28).
What are the key properties of 6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one?
6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 473.52 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45272043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).