N-[6-[[4-[[2-(azetidin-1-yl)-4-pyridinyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]pyridazin-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide

C44H38F6N12O2 — CID 123458735

IUPACN-[6-[[4-[[2-(azetidin-1-yl)-4-pyridinyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]pyridazin-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(CN3CCN(C(=O)Nc4ccnc(N5CCC5)c4)c4nc(-c5cccc(C(F)(F)F)c5)ccc43)nn2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C44H38F6N12O2/c1-58-19-21-61(39-35(58)12-10-33(53-39)27-5-2-7-29(23-27)43(45,46)47)42(64)55-37-14-9-32(56-57-37)26-60-20-22-62(41(63)52-31-15-16-51-38(25-31)59-17-4-18-59)40-36(60)13-11-34(54-40)28-6-3-8-30(24-28)44(48,49)50/h2-3,5-16,23-25H,4,17-22,26H2,1H3,(H,51,52,63)(H,55,57,64)
InChIKeyGYXPXZVRZOUYRM-UHFFFAOYSA-N
MW880.86 g/mol
LogP8.79
Rot. Bonds7

About N-[6-[[4-[[2-(azetidin-1-yl)-4-pyridinyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]pyridazin-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide

N-[6-[[4-[[2-(azetidin-1-yl)-4-pyridinyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]pyridazin-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (PubChem CID 123458735) has the molecular formula C44H38F6N12O2 and a molecular weight of 880.86 g/mol. Its IUPAC name is N-[6-[[4-[[2-(azetidin-1-yl)-4-pyridinyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]pyridazin-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[[4-[[2-(azetidin-1-yl)-4-pyridinyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]pyridazin-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
PubChem CID123458735
Molecular FormulaC44H38F6N12O2
Molecular Weight880.86 g/mol
Exact Mass880.31
IUPAC NameN-[6-[[4-[[2-(azetidin-1-yl)-4-pyridinyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]pyridazin-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(CN3CCN(C(=O)Nc4ccnc(N5CCC5)c4)c4nc(-c5cccc(C(F)(F)F)c5)ccc43)nn2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C44H38F6N12O2/c1-58-19-21-61(39-35(58)12-10-33(53-39)27-5-2-7-29(23-27)43(45,46)47)42(64)55-37-14-9-32(56-57-37)26-60-20-22-62(41(63)52-31-15-16-51-38(25-31)59-17-4-18-59)40-36(60)13-11-34(54-40)28-6-3-8-30(24-28)44(48,49)50/h2-3,5-16,23-25H,4,17-22,26H2,1H3,(H,51,52,63)(H,55,57,64)
InChIKeyGYXPXZVRZOUYRM-UHFFFAOYSA-N
XLogP8.79
TPSA138.85 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.86
LogP ≤ 58.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[6-[[4-[[2-(azetidin-1-yl)-4-pyridinyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]pyridazin-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide with MolForge

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Related Compounds

US11702418, Example 12-1
CID 156496065
US11702418, Example 12-59
CID 156526698
US11702418, Example 12-67
CID 156526720
US11702418, Example 12-60
CID 156526944
US11702418, Example 12-26
CID 156527245
US11702418, Example 12-68
CID 156527323
US11702418, Example 12-102
CID 156527328
US11702418, Example 12-33
CID 156527551
US11702418, Example 12-65
CID 156527576
US20240018122, Example 190
CID 168072339
N-(5-(3-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydropyrimido[5,4-c][1,5]naphthyridin-9-yl)pyridin-2-yl)acetamide
CID 89589901
3-methyl-9-(6-pyrazol-1-ylpyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
CID 89589906

Frequently Asked Questions

What is the IUPAC name of N-[6-[[4-[[2-(azetidin-1-yl)-4-pyridinyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]pyridazin-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The IUPAC name of N-[6-[[4-[[2-(azetidin-1-yl)-4-pyridinyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]pyridazin-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (CID 123458735) is N-[6-[[4-[[2-(azetidin-1-yl)-4-pyridinyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]pyridazin-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide.
What is the SMILES notation for N-[6-[[4-[[2-(azetidin-1-yl)-4-pyridinyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]pyridazin-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The canonical SMILES for N-[6-[[4-[[2-(azetidin-1-yl)-4-pyridinyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]pyridazin-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is CN1CCN(C(=O)Nc2ccc(CN3CCN(C(=O)Nc4ccnc(N5CCC5)c4)c4nc(-c5cccc(C(F)(F)F)c5)ccc43)nn2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21.
What is the InChIKey of N-[6-[[4-[[2-(azetidin-1-yl)-4-pyridinyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]pyridazin-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The InChIKey is GYXPXZVRZOUYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38F6N12O2/c1-58-19-21-61(39-35(58)12-10-33(53-39)27-5-2-7-29(23-27)43(45,46)47)42(64)55-37-14-9-32(56-57-37)26-60-20-22-62(41(63)52-31-15-16-51-38(25-31)59-17-4-18-59)40-36(60)13-11-34(54-40)28-6-3-8-30(24-28)44(48,49)50/h2-3,5-16,23-25H,4,17-22,26H2,1H3,(H,51,52,63)(H,55,57,64).
What are the key properties of N-[6-[[4-[[2-(azetidin-1-yl)-4-pyridinyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]pyridazin-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
N-[6-[[4-[[2-(azetidin-1-yl)-4-pyridinyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]pyridazin-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide has a molecular weight of 880.86 g/mol, XLogP of 8.79, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[4-[[2-(azetidin-1-yl)-4-pyridinyl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]methyl]pyridazin-3-yl]-1-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is sourced from PubChem (CID 123458735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).