tert-butyl N-[1-[4-(5-hydrazinyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamate;1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine;pyrimidine-2-carboxylic acid;dihydrochloride

C97H91Cl2N21O6 — CID 158795167

IUPACtert-butyl N-[1-[4-(5-hydrazinyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamate;1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine;pyrimidine-2-carboxylic acid;dihydrochloride
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3nc4ccn5c(-c6ncccn6)nnc5c4cc3-c3ccccc3)cc2)CCC1.CC(C)(C)OC(=O)NC1(c2ccc(-c3nc4ccnc(NN)c4cc3-c3ccccc3)cc2)CCC1.Cl.Cl.NC1(c2ccc(-c3nc4ccn5c(-c6ncccn6)nnc5c4cc3-c3ccccc3)cc2)CCC1.O=C(O)c1ncccn1
InChIInChI=1S/C34H31N7O2.C29H23N7.C29H31N5O2.C5H4N2O2.2ClH/c1-33(2,3)43-32(42)38-34(16-7-17-34)24-13-11-23(12-14-24)28-25(22-9-5-4-6-10-22)21-26-27(37-28)15-20-41-30(26)39-40-31(41)29-35-18-8-19-36-29;30-29(13-4-14-29)21-10-8-20(9-11-21)25-22(19-6-2-1-3-7-19)18-23-24(33-25)12-17-36-27(23)34-35-28(36)26-31-15-5-16-32-26;1-28(2,3)36-27(35)33-29(15-7-16-29)21-12-10-20(11-13-21)25-22(19-8-5-4-6-9-19)18-23-24(32-25)14-17-31-26(23)34-30;8-5(9)4-6-2-1-3-7-4;;/h4-6,8-15,18-21H,7,16-17H2,1-3H3,(H,38,42);1-3,5-12,15-18H,4,13-14,30H2;4-6,8-14,17-18H,7,15-16,30H2,1-3H3,(H,31,34)(H,33,35);1-3H,(H,8,9);2*1H
InChIKeyVLYJUWRQVWQHJP-UHFFFAOYSA-N
MW1717.84 g/mol
LogP19.55
Rot. Bonds15

About tert-butyl N-[1-[4-(5-hydrazinyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamate;1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine;pyrimidine-2-carboxylic acid;dihydrochloride

tert-butyl N-[1-[4-(5-hydrazinyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamate;1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine;pyrimidine-2-carboxylic acid;dihydrochloride (PubChem CID 158795167) has the molecular formula C97H91Cl2N21O6 and a molecular weight of 1717.84 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(5-hydrazinyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamate;1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine;pyrimidine-2-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(5-hydrazinyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamate;1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine;pyrimidine-2-carboxylic acid;dihydrochloride
PubChem CID158795167
Molecular FormulaC97H91Cl2N21O6
Molecular Weight1717.84 g/mol
Exact Mass1715.68
IUPAC Nametert-butyl N-[1-[4-(5-hydrazinyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamate;1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine;pyrimidine-2-carboxylic acid;dihydrochloride
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3nc4ccn5c(-c6ncccn6)nnc5c4cc3-c3ccccc3)cc2)CCC1.CC(C)(C)OC(=O)NC1(c2ccc(-c3nc4ccnc(NN)c4cc3-c3ccccc3)cc2)CCC1.Cl.Cl.NC1(c2ccc(-c3nc4ccn5c(-c6ncccn6)nnc5c4cc3-c3ccccc3)cc2)CCC1.O=C(O)c1ncccn1
InChIInChI=1S/C34H31N7O2.C29H23N7.C29H31N5O2.C5H4N2O2.2ClH/c1-33(2,3)43-32(42)38-34(16-7-17-34)24-13-11-23(12-14-24)28-25(22-9-5-4-6-10-22)21-26-27(37-28)15-20-41-30(26)39-40-31(41)29-35-18-8-19-36-29;30-29(13-4-14-29)21-10-8-20(9-11-21)25-22(19-6-2-1-3-7-19)18-23-24(33-25)12-17-36-27(23)34-35-28(36)26-31-15-5-16-32-26;1-28(2,3)36-27(35)33-29(15-7-16-29)21-12-10-20(11-13-21)25-22(19-8-5-4-6-9-19)18-23-24(32-25)14-17-31-26(23)34-30;8-5(9)4-6-2-1-3-7-4;;/h4-6,8-15,18-21H,7,16-17H2,1-3H3,(H,38,42);1-3,5-12,15-18H,4,13-14,30H2;4-6,8-14,17-18H,7,15-16,30H2,1-3H3,(H,31,34)(H,33,35);1-3H,(H,8,9);2*1H
InChIKeyVLYJUWRQVWQHJP-UHFFFAOYSA-N
XLogP19.55
TPSA367.31 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001717.84
LogP ≤ 519.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze tert-butyl N-[1-[4-(5-hydrazinyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamate;1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine;pyrimidine-2-carboxylic acid;dihydrochloride with MolForge

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Related Compounds

1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine
CID 59473018
2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-1,6-naphthyridine-5-carbonitrile;tert-butyl N-[1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate
CID 158821519
3-fluoro-1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine
CID 44556030
1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclobutan-1-amine
CID 24964269
8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
CID 141180044
tert-butyl N-[1-[4-[5-hydroxy-6-(hydroxyamino)-3-phenylquinolin-2-yl]phenyl]cyclobutyl]carbamate
CID 137030092
tert-butyl N-[3,3-difluoro-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate
CID 152811384
tert-butyl N-[1-[4-(6-chloro-3-phenyl-1,7-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate
CID 58524156
tert-butyl N-[1-[4-(9-bromo-3-phenylpyrimido[1,2-b]indazol-2-yl)phenyl]cyclobutyl]carbamate
CID 67991217
1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclohexan-1-amine;dihydrochloride
CID 67254639
1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine
CID 59473046
tert-butyl N-[1-[4-(6-ethyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate
CID 123698040

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(5-hydrazinyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamate;1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine;pyrimidine-2-carboxylic acid;dihydrochloride?
The IUPAC name of tert-butyl N-[1-[4-(5-hydrazinyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamate;1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine;pyrimidine-2-carboxylic acid;dihydrochloride (CID 158795167) is tert-butyl N-[1-[4-(5-hydrazinyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamate;1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine;pyrimidine-2-carboxylic acid;dihydrochloride.
What is the SMILES notation for tert-butyl N-[1-[4-(5-hydrazinyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamate;1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine;pyrimidine-2-carboxylic acid;dihydrochloride?
The canonical SMILES for tert-butyl N-[1-[4-(5-hydrazinyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamate;1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine;pyrimidine-2-carboxylic acid;dihydrochloride is CC(C)(C)OC(=O)NC1(c2ccc(-c3nc4ccn5c(-c6ncccn6)nnc5c4cc3-c3ccccc3)cc2)CCC1.CC(C)(C)OC(=O)NC1(c2ccc(-c3nc4ccnc(NN)c4cc3-c3ccccc3)cc2)CCC1.Cl.Cl.NC1(c2ccc(-c3nc4ccn5c(-c6ncccn6)nnc5c4cc3-c3ccccc3)cc2)CCC1.O=C(O)c1ncccn1.
What is the InChIKey of tert-butyl N-[1-[4-(5-hydrazinyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamate;1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine;pyrimidine-2-carboxylic acid;dihydrochloride?
The InChIKey is VLYJUWRQVWQHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N7O2.C29H23N7.C29H31N5O2.C5H4N2O2.2ClH/c1-33(2,3)43-32(42)38-34(16-7-17-34)24-13-11-23(12-14-24)28-25(22-9-5-4-6-10-22)21-26-27(37-28)15-20-41-30(26)39-40-31(41)29-35-18-8-19-36-29;30-29(13-4-14-29)21-10-8-20(9-11-21)25-22(19-6-2-1-3-7-19)18-23-24(33-25)12-17-36-27(23)34-35-28(36)26-31-15-5-16-32-26;1-28(2,3)36-27(35)33-29(15-7-16-29)21-12-10-20(11-13-21)25-22(19-8-5-4-6-9-19)18-23-24(32-25)14-17-31-26(23)34-30;8-5(9)4-6-2-1-3-7-4;;/h4-6,8-15,18-21H,7,16-17H2,1-3H3,(H,38,42);1-3,5-12,15-18H,4,13-14,30H2;4-6,8-14,17-18H,7,15-16,30H2,1-3H3,(H,31,34)(H,33,35);1-3H,(H,8,9);2*1H.
What are the key properties of tert-butyl N-[1-[4-(5-hydrazinyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamate;1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine;pyrimidine-2-carboxylic acid;dihydrochloride?
tert-butyl N-[1-[4-(5-hydrazinyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamate;1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine;pyrimidine-2-carboxylic acid;dihydrochloride has a molecular weight of 1717.84 g/mol, XLogP of 19.55, 15 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(5-hydrazinyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamate;1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine;pyrimidine-2-carboxylic acid;dihydrochloride is sourced from PubChem (CID 158795167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).