acetohydrazide;tert-butyl N-[[4-(6-isocyano-2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[4-(6-isocyano-3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]carbamate;[4-[6-(5-methyl-4H-pyrazol-3-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]methylazanium;[4-[6-(5-methyl-4H-pyrazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate)

C106H94F6N24O9 — CID 160871678

IUPACacetohydrazide;tert-butyl N-[[4-(6-isocyano-2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[4-(6-isocyano-3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]carbamate;[4-[6-(5-methyl-4H-pyrazol-3-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]methylazanium;[4-[6-(5-methyl-4H-pyrazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate)
SMILESCC(=O)NN.CC1=NN=C(c2ccc3nc(-c4ccc(C[NH3+])cc4)c(-c4ccccc4)nc3n2)C1.CC1=NN=C(c2ccc3nc(-c4ccccc4)c(-c4ccc(C[NH3+])cc4)nc3n2)C1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[C-]#[N+]c1ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)c(-c3ccccc3)nc2n1.[C-]#[N+]c1ccc2nc(-c3ccccc3)c(-c3ccc(CNC(=O)OC(C)(C)C)cc3)nc2n1
InChIInChI=1S/2C26H23N5O2.2C24H20N6.2C2HF3O2.C2H6N2O/c1-26(2,3)33-25(32)28-16-17-10-12-19(13-11-17)22-23(18-8-6-5-7-9-18)31-24-20(29-22)14-15-21(27-4)30-24;1-26(2,3)33-25(32)28-16-17-10-12-19(13-11-17)23-22(18-8-6-5-7-9-18)29-20-14-15-21(27-4)30-24(20)31-23;1-15-13-21(30-29-15)19-11-12-20-24(27-19)28-23(17-5-3-2-4-6-17)22(26-20)18-9-7-16(14-25)8-10-18;1-15-13-21(30-29-15)19-11-12-20-24(27-19)28-23(18-9-7-16(14-25)8-10-18)22(26-20)17-5-3-2-4-6-17;2*3-2(4,5)1(6)7;1-2(5)4-3/h2*5-15H,16H2,1-3H3,(H,28,32);2*2-12H,13-14,25H2,1H3;2*(H,6,7);3H2,1H3,(H,4,5)
InChIKeyDGFRYCXQOXPJQX-UHFFFAOYSA-N
MW1962.06 g/mol
LogP16.80
Rot. Bonds16

About acetohydrazide;tert-butyl N-[[4-(6-isocyano-2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[4-(6-isocyano-3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]carbamate;[4-[6-(5-methyl-4H-pyrazol-3-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]methylazanium;[4-[6-(5-methyl-4H-pyrazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate)

acetohydrazide;tert-butyl N-[[4-(6-isocyano-2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[4-(6-isocyano-3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]carbamate;[4-[6-(5-methyl-4H-pyrazol-3-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]methylazanium;[4-[6-(5-methyl-4H-pyrazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate) (PubChem CID 160871678) has the molecular formula C106H94F6N24O9 and a molecular weight of 1962.06 g/mol. Its IUPAC name is acetohydrazide;tert-butyl N-[[4-(6-isocyano-2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[4-(6-isocyano-3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]carbamate;[4-[6-(5-methyl-4H-pyrazol-3-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]methylazanium;[4-[6-(5-methyl-4H-pyrazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate).

Molecular Properties

Compound Nameacetohydrazide;tert-butyl N-[[4-(6-isocyano-2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[4-(6-isocyano-3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]carbamate;[4-[6-(5-methyl-4H-pyrazol-3-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]methylazanium;[4-[6-(5-methyl-4H-pyrazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate)
PubChem CID160871678
Molecular FormulaC106H94F6N24O9
Molecular Weight1962.06 g/mol
Exact Mass1960.75
IUPAC Nameacetohydrazide;tert-butyl N-[[4-(6-isocyano-2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[4-(6-isocyano-3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]carbamate;[4-[6-(5-methyl-4H-pyrazol-3-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]methylazanium;[4-[6-(5-methyl-4H-pyrazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate)
SMILESCC(=O)NN.CC1=NN=C(c2ccc3nc(-c4ccc(C[NH3+])cc4)c(-c4ccccc4)nc3n2)C1.CC1=NN=C(c2ccc3nc(-c4ccccc4)c(-c4ccc(C[NH3+])cc4)nc3n2)C1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[C-]#[N+]c1ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)c(-c3ccccc3)nc2n1.[C-]#[N+]c1ccc2nc(-c3ccccc3)c(-c3ccc(CNC(=O)OC(C)(C)C)cc3)nc2n1
InChIInChI=1S/2C26H23N5O2.2C24H20N6.2C2HF3O2.C2H6N2O/c1-26(2,3)33-25(32)28-16-17-10-12-19(13-11-17)22-23(18-8-6-5-7-9-18)31-24-20(29-22)14-15-21(27-4)30-24;1-26(2,3)33-25(32)28-16-17-10-12-19(13-11-17)23-22(18-8-6-5-7-9-18)29-20-14-15-21(27-4)30-24(20)31-23;1-15-13-21(30-29-15)19-11-12-20-24(27-19)28-23(17-5-3-2-4-6-17)22(26-20)18-9-7-16(14-25)8-10-18;1-15-13-21(30-29-15)19-11-12-20-24(27-19)28-23(18-9-7-16(14-25)8-10-18)22(26-20)17-5-3-2-4-6-17;2*3-2(4,5)1(6)7;1-2(5)4-3/h2*5-15H,16H2,1-3H3,(H,28,32);2*2-12H,13-14,25H2,1H3;2*(H,6,7);3H2,1H3,(H,4,5)
InChIKeyDGFRYCXQOXPJQX-UHFFFAOYSA-N
XLogP16.80
TPSA480.16 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001962.06
LogP ≤ 516.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze acetohydrazide;tert-butyl N-[[4-(6-isocyano-2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[4-(6-isocyano-3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]carbamate;[4-[6-(5-methyl-4H-pyrazol-3-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]methylazanium;[4-[6-(5-methyl-4H-pyrazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate) with MolForge

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Related Compounds

[4-[3-phenyl-6-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 87232469
[4-[5-(2-acetamidoethylcarbamoyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 88959334
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
tert-butyl N-[[4-[5-(3-hydroxypropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate
CID 58524619
tert-butyl N-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methyl]carbamate
CID 139028210
tert-butyl N-[[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]methyl]carbamate
CID 121449320
tert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
CID 25150915
tert-butyl N-[[4-[5-[N-(1-aminoethylidene)carbamimidoyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate
CID 91226793
methanidyl-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]azanium
CID 87107169
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-phenylphenyl)methylamino]hexanoate
CID 134231665
tert-butyl N-[[4-(benzenesulfonyl)phenyl]methyl]carbamate
CID 146037486

Frequently Asked Questions

What is the IUPAC name of acetohydrazide;tert-butyl N-[[4-(6-isocyano-2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[4-(6-isocyano-3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]carbamate;[4-[6-(5-methyl-4H-pyrazol-3-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]methylazanium;[4-[6-(5-methyl-4H-pyrazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate)?
The IUPAC name of acetohydrazide;tert-butyl N-[[4-(6-isocyano-2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[4-(6-isocyano-3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]carbamate;[4-[6-(5-methyl-4H-pyrazol-3-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]methylazanium;[4-[6-(5-methyl-4H-pyrazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate) (CID 160871678) is acetohydrazide;tert-butyl N-[[4-(6-isocyano-2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[4-(6-isocyano-3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]carbamate;[4-[6-(5-methyl-4H-pyrazol-3-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]methylazanium;[4-[6-(5-methyl-4H-pyrazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate).
What is the SMILES notation for acetohydrazide;tert-butyl N-[[4-(6-isocyano-2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[4-(6-isocyano-3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]carbamate;[4-[6-(5-methyl-4H-pyrazol-3-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]methylazanium;[4-[6-(5-methyl-4H-pyrazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate)?
The canonical SMILES for acetohydrazide;tert-butyl N-[[4-(6-isocyano-2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[4-(6-isocyano-3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]carbamate;[4-[6-(5-methyl-4H-pyrazol-3-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]methylazanium;[4-[6-(5-methyl-4H-pyrazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate) is CC(=O)NN.CC1=NN=C(c2ccc3nc(-c4ccc(C[NH3+])cc4)c(-c4ccccc4)nc3n2)C1.CC1=NN=C(c2ccc3nc(-c4ccccc4)c(-c4ccc(C[NH3+])cc4)nc3n2)C1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[C-]#[N+]c1ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)c(-c3ccccc3)nc2n1.[C-]#[N+]c1ccc2nc(-c3ccccc3)c(-c3ccc(CNC(=O)OC(C)(C)C)cc3)nc2n1.
What is the InChIKey of acetohydrazide;tert-butyl N-[[4-(6-isocyano-2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[4-(6-isocyano-3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]carbamate;[4-[6-(5-methyl-4H-pyrazol-3-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]methylazanium;[4-[6-(5-methyl-4H-pyrazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate)?
The InChIKey is DGFRYCXQOXPJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H23N5O2.2C24H20N6.2C2HF3O2.C2H6N2O/c1-26(2,3)33-25(32)28-16-17-10-12-19(13-11-17)22-23(18-8-6-5-7-9-18)31-24-20(29-22)14-15-21(27-4)30-24;1-26(2,3)33-25(32)28-16-17-10-12-19(13-11-17)23-22(18-8-6-5-7-9-18)29-20-14-15-21(27-4)30-24(20)31-23;1-15-13-21(30-29-15)19-11-12-20-24(27-19)28-23(17-5-3-2-4-6-17)22(26-20)18-9-7-16(14-25)8-10-18;1-15-13-21(30-29-15)19-11-12-20-24(27-19)28-23(18-9-7-16(14-25)8-10-18)22(26-20)17-5-3-2-4-6-17;2*3-2(4,5)1(6)7;1-2(5)4-3/h2*5-15H,16H2,1-3H3,(H,28,32);2*2-12H,13-14,25H2,1H3;2*(H,6,7);3H2,1H3,(H,4,5).
What are the key properties of acetohydrazide;tert-butyl N-[[4-(6-isocyano-2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[4-(6-isocyano-3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]carbamate;[4-[6-(5-methyl-4H-pyrazol-3-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]methylazanium;[4-[6-(5-methyl-4H-pyrazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate)?
acetohydrazide;tert-butyl N-[[4-(6-isocyano-2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[4-(6-isocyano-3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]carbamate;[4-[6-(5-methyl-4H-pyrazol-3-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]methylazanium;[4-[6-(5-methyl-4H-pyrazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate) has a molecular weight of 1962.06 g/mol, XLogP of 16.80, 16 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for acetohydrazide;tert-butyl N-[[4-(6-isocyano-2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]methyl]carbamate;tert-butyl N-[[4-(6-isocyano-3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]carbamate;[4-[6-(5-methyl-4H-pyrazol-3-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]methylazanium;[4-[6-(5-methyl-4H-pyrazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate) is sourced from PubChem (CID 160871678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).