6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one

C26H26FN5O2 — CID 70318424

IUPAC6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(NCCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1Cc1cccnc1
InChIInChI=1S/C26H26FN5O2/c27-21-5-3-20(4-6-21)22-7-8-23-25(31-22)32(17-19-2-1-12-28-16-19)26(33)24(30-23)29-13-9-18-10-14-34-15-11-18/h1-8,12,16,18H,9-11,13-15,17H2,(H,29,30)
InChIKeyMBVTUMLIZRBHKC-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.27
Rot. Bonds7

About 6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one

6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 70318424) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID70318424
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC Name6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(NCCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1Cc1cccnc1
InChIInChI=1S/C26H26FN5O2/c27-21-5-3-20(4-6-21)22-7-8-23-25(31-22)32(17-19-2-1-12-28-16-19)26(33)24(30-23)29-13-9-18-10-14-34-15-11-18/h1-8,12,16,18H,9-11,13-15,17H2,(H,29,30)
InChIKeyMBVTUMLIZRBHKC-UHFFFAOYSA-N
XLogP4.27
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one (CID 70318424) is 6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one is O=c1c(NCCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1Cc1cccnc1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is MBVTUMLIZRBHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c27-21-5-3-20(4-6-21)22-7-8-23-25(31-22)32(17-19-2-1-12-28-16-19)26(33)24(30-23)29-13-9-18-10-14-34-15-11-18/h1-8,12,16,18H,9-11,13-15,17H2,(H,29,30).
What are the key properties of 6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one?
6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 459.53 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 70318424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).