6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-5-oxopyrido[3,4-b]pyrazine-8-carboxamide

C28H24F2N6O3 — CID 162772274

IUPAC6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-5-oxopyrido[3,4-b]pyrazine-8-carboxamide
SMILESCn1cc2c(-c3cc(F)c(Cn4cc(C(=O)NC5CCOCC5)c5nccnc5c4=O)c(F)c3)cccc2n1
InChIInChI=1S/C28H24F2N6O3/c1-35-13-19-18(3-2-4-24(19)34-35)16-11-22(29)20(23(30)12-16)14-36-15-21(25-26(28(36)38)32-8-7-31-25)27(37)33-17-5-9-39-10-6-17/h2-4,7-8,11-13,15,17H,5-6,9-10,14H2,1H3,(H,33,37)
InChIKeyIVKJOCXNRHPYSE-UHFFFAOYSA-N
MW530.54 g/mol
LogP3.58
Rot. Bonds5

About 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-5-oxopyrido[3,4-b]pyrazine-8-carboxamide

6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-5-oxopyrido[3,4-b]pyrazine-8-carboxamide (PubChem CID 162772274) has the molecular formula C28H24F2N6O3 and a molecular weight of 530.54 g/mol. Its IUPAC name is 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-5-oxopyrido[3,4-b]pyrazine-8-carboxamide.

Molecular Properties

Compound Name6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-5-oxopyrido[3,4-b]pyrazine-8-carboxamide
PubChem CID162772274
Molecular FormulaC28H24F2N6O3
Molecular Weight530.54 g/mol
Exact Mass530.19
IUPAC Name6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-5-oxopyrido[3,4-b]pyrazine-8-carboxamide
SMILESCn1cc2c(-c3cc(F)c(Cn4cc(C(=O)NC5CCOCC5)c5nccnc5c4=O)c(F)c3)cccc2n1
InChIInChI=1S/C28H24F2N6O3/c1-35-13-19-18(3-2-4-24(19)34-35)16-11-22(29)20(23(30)12-16)14-36-15-21(25-26(28(36)38)32-8-7-31-25)27(37)33-17-5-9-39-10-6-17/h2-4,7-8,11-13,15,17H,5-6,9-10,14H2,1H3,(H,33,37)
InChIKeyIVKJOCXNRHPYSE-UHFFFAOYSA-N
XLogP3.58
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 162772136
6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-oxopyrido[4,3-d]pyrimidine-8-carboxamide
CID 162772213
1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one
CID 86298474
6-[[2-cyclopropyl-6-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615729
5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-methyl-4H-pyrrolo[3,4-b]pyrrol-6-one
CID 146216705
6-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxo-1,6-naphthyridine-8-carboxamide
CID 162772245
6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[3,4-b]pyrazine-8-carboxamide
CID 162772267
6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-1,6-naphthyridine-8-carboxamide
CID 162772163
3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide
CID 118792986
3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 121275636
3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide
CID 62660307
6-[[2,6-difluoro-4-[7-(3-hydroxyoxolan-3-yl)-2-methylindazol-4-yl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528367

Frequently Asked Questions

What is the IUPAC name of 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-5-oxopyrido[3,4-b]pyrazine-8-carboxamide?
The IUPAC name of 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-5-oxopyrido[3,4-b]pyrazine-8-carboxamide (CID 162772274) is 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-5-oxopyrido[3,4-b]pyrazine-8-carboxamide.
What is the SMILES notation for 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-5-oxopyrido[3,4-b]pyrazine-8-carboxamide?
The canonical SMILES for 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-5-oxopyrido[3,4-b]pyrazine-8-carboxamide is Cn1cc2c(-c3cc(F)c(Cn4cc(C(=O)NC5CCOCC5)c5nccnc5c4=O)c(F)c3)cccc2n1.
What is the InChIKey of 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-5-oxopyrido[3,4-b]pyrazine-8-carboxamide?
The InChIKey is IVKJOCXNRHPYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N6O3/c1-35-13-19-18(3-2-4-24(19)34-35)16-11-22(29)20(23(30)12-16)14-36-15-21(25-26(28(36)38)32-8-7-31-25)27(37)33-17-5-9-39-10-6-17/h2-4,7-8,11-13,15,17H,5-6,9-10,14H2,1H3,(H,33,37).
What are the key properties of 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-5-oxopyrido[3,4-b]pyrazine-8-carboxamide?
6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-5-oxopyrido[3,4-b]pyrazine-8-carboxamide has a molecular weight of 530.54 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-5-oxopyrido[3,4-b]pyrazine-8-carboxamide is sourced from PubChem (CID 162772274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).