3-methyl-7-[1-[3-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one

C25H21F6N7O — CID 174278623

IUPAC3-methyl-7-[1-[3-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
SMILESCc1cnc2cc(C3CCN(c4nccnc4C(F)(F)F)CC3)c(=O)n(Cc3ncccc3C(F)(F)F)c2n1
InChIInChI=1S/C25H21F6N7O/c1-14-12-35-18-11-16(15-4-9-37(10-5-15)22-20(25(29,30)31)33-7-8-34-22)23(39)38(21(18)36-14)13-19-17(24(26,27)28)3-2-6-32-19/h2-3,6-8,11-12,15H,4-5,9-10,13H2,1H3
InChIKeyGYUXTARKIUDUTB-UHFFFAOYSA-N
MW549.48 g/mol
LogP4.75
Rot. Bonds4

About 3-methyl-7-[1-[3-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one

3-methyl-7-[1-[3-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one (PubChem CID 174278623) has the molecular formula C25H21F6N7O and a molecular weight of 549.48 g/mol. Its IUPAC name is 3-methyl-7-[1-[3-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name3-methyl-7-[1-[3-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
PubChem CID174278623
Molecular FormulaC25H21F6N7O
Molecular Weight549.48 g/mol
Exact Mass549.17
IUPAC Name3-methyl-7-[1-[3-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
SMILESCc1cnc2cc(C3CCN(c4nccnc4C(F)(F)F)CC3)c(=O)n(Cc3ncccc3C(F)(F)F)c2n1
InChIInChI=1S/C25H21F6N7O/c1-14-12-35-18-11-16(15-4-9-37(10-5-15)22-20(25(29,30)31)33-7-8-34-22)23(39)38(21(18)36-14)13-19-17(24(26,27)28)3-2-6-32-19/h2-3,6-8,11-12,15H,4-5,9-10,13H2,1H3
InChIKeyGYUXTARKIUDUTB-UHFFFAOYSA-N
XLogP4.75
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.48
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-methyl-7-[1-[3-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[1-[3-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 3-methyl-7-[1-[3-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one (CID 174278623) is 3-methyl-7-[1-[3-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 3-methyl-7-[1-[3-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 3-methyl-7-[1-[3-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one is Cc1cnc2cc(C3CCN(c4nccnc4C(F)(F)F)CC3)c(=O)n(Cc3ncccc3C(F)(F)F)c2n1.
What is the InChIKey of 3-methyl-7-[1-[3-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one?
The InChIKey is GYUXTARKIUDUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F6N7O/c1-14-12-35-18-11-16(15-4-9-37(10-5-15)22-20(25(29,30)31)33-7-8-34-22)23(39)38(21(18)36-14)13-19-17(24(26,27)28)3-2-6-32-19/h2-3,6-8,11-12,15H,4-5,9-10,13H2,1H3.
What are the key properties of 3-methyl-7-[1-[3-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one?
3-methyl-7-[1-[3-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one has a molecular weight of 549.48 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[1-[3-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 174278623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).