tert-butyl 4-[3-[4-[1-[4-[3-amino-6-(2-hydroxyphenyl)-1,2-dihydropyridazin-4-yl]pyrazol-1-yl]ethyl]piperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate

C34H49N7O4 — CID 146340096

IUPACtert-butyl 4-[3-[4-[1-[4-[3-amino-6-(2-hydroxyphenyl)-1,2-dihydropyridazin-4-yl]pyrazol-1-yl]ethyl]piperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate
SMILESCC(C1CCN(C2CC(OC3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1)n1cc(C2=C(N)NNC(c3ccccc3O)=C2)cn1
InChIInChI=1S/C34H49N7O4/c1-22(41-21-24(20-36-41)29-19-30(37-38-32(29)35)28-7-5-6-8-31(28)42)23-9-13-39(14-10-23)25-17-27(18-25)44-26-11-15-40(16-12-26)33(43)45-34(2,3)4/h5-8,19-23,25-27,37-38,42H,9-18,35H2,1-4H3
InChIKeySXSZRIGWHSFTLO-UHFFFAOYSA-N
MW619.81 g/mol
LogP4.59
Rot. Bonds7

About tert-butyl 4-[3-[4-[1-[4-[3-amino-6-(2-hydroxyphenyl)-1,2-dihydropyridazin-4-yl]pyrazol-1-yl]ethyl]piperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate

tert-butyl 4-[3-[4-[1-[4-[3-amino-6-(2-hydroxyphenyl)-1,2-dihydropyridazin-4-yl]pyrazol-1-yl]ethyl]piperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate (PubChem CID 146340096) has the molecular formula C34H49N7O4 and a molecular weight of 619.81 g/mol. Its IUPAC name is tert-butyl 4-[3-[4-[1-[4-[3-amino-6-(2-hydroxyphenyl)-1,2-dihydropyridazin-4-yl]pyrazol-1-yl]ethyl]piperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[4-[1-[4-[3-amino-6-(2-hydroxyphenyl)-1,2-dihydropyridazin-4-yl]pyrazol-1-yl]ethyl]piperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate
PubChem CID146340096
Molecular FormulaC34H49N7O4
Molecular Weight619.81 g/mol
Exact Mass619.38
IUPAC Nametert-butyl 4-[3-[4-[1-[4-[3-amino-6-(2-hydroxyphenyl)-1,2-dihydropyridazin-4-yl]pyrazol-1-yl]ethyl]piperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate
SMILESCC(C1CCN(C2CC(OC3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1)n1cc(C2=C(N)NNC(c3ccccc3O)=C2)cn1
InChIInChI=1S/C34H49N7O4/c1-22(41-21-24(20-36-41)29-19-30(37-38-32(29)35)28-7-5-6-8-31(28)42)23-9-13-39(14-10-23)25-17-27(18-25)44-26-11-15-40(16-12-26)33(43)45-34(2,3)4/h5-8,19-23,25-27,37-38,42H,9-18,35H2,1-4H3
InChIKeySXSZRIGWHSFTLO-UHFFFAOYSA-N
XLogP4.59
TPSA130.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.81
LogP ≤ 54.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 4-[3-[4-[1-[4-[3-amino-6-(2-hydroxyphenyl)-1,2-dihydropyridazin-4-yl]pyrazol-1-yl]ethyl]piperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[3-[2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethoxy]cyclobutyl]oxypiperidine-1-carboxylate
CID 139546226
tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 86608801
tert-butyl 4-[3-[2-[3-[3-amino-6-(2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidin-5-yl]oxycyclobutyl]oxypiperidine-1-carboxylate
CID 168896482
tert-butyl 4-[3-(2-methylsulfanylpyrimidin-5-yl)oxycyclobutyl]oxypiperidine-1-carboxylate
CID 168896604
tert-butyl 4-[3-[2-[4-[6-(2-hydroxyphenyl)-3-(propan-2-ylamino)pyrazolo[4,3-c]pyridazin-1-yl]piperidin-1-yl]pyrimidin-5-yl]oxycyclobutyl]oxypiperidine-1-carboxylate
CID 168896554
tert-butyl (3R,5R)-3,5-dimethyl-4-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)oxycyclobutyl]piperazine-1-carboxylate
CID 166496473
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 3-aminopyrrolidine-1-carboxylate;2-methylisoindole-1,3-dione
CID 145219932
tert-butyl 4-[3-(1,3-dioxoisoindol-2-yl)azetidin-1-yl]piperidine-1-carboxylate
CID 166030831
benzyl 4-[3-(4-hydroxypiperidin-1-yl)cyclobutyl]oxypiperidine-1-carboxylate
CID 166077458
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypiperidine-1-carboxylate
CID 167488852
tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[4-[1-[4-[3-amino-6-(2-hydroxyphenyl)-1,2-dihydropyridazin-4-yl]pyrazol-1-yl]ethyl]piperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[4-[1-[4-[3-amino-6-(2-hydroxyphenyl)-1,2-dihydropyridazin-4-yl]pyrazol-1-yl]ethyl]piperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate (CID 146340096) is tert-butyl 4-[3-[4-[1-[4-[3-amino-6-(2-hydroxyphenyl)-1,2-dihydropyridazin-4-yl]pyrazol-1-yl]ethyl]piperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[4-[1-[4-[3-amino-6-(2-hydroxyphenyl)-1,2-dihydropyridazin-4-yl]pyrazol-1-yl]ethyl]piperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[4-[1-[4-[3-amino-6-(2-hydroxyphenyl)-1,2-dihydropyridazin-4-yl]pyrazol-1-yl]ethyl]piperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate is CC(C1CCN(C2CC(OC3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1)n1cc(C2=C(N)NNC(c3ccccc3O)=C2)cn1.
What is the InChIKey of tert-butyl 4-[3-[4-[1-[4-[3-amino-6-(2-hydroxyphenyl)-1,2-dihydropyridazin-4-yl]pyrazol-1-yl]ethyl]piperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate?
The InChIKey is SXSZRIGWHSFTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H49N7O4/c1-22(41-21-24(20-36-41)29-19-30(37-38-32(29)35)28-7-5-6-8-31(28)42)23-9-13-39(14-10-23)25-17-27(18-25)44-26-11-15-40(16-12-26)33(43)45-34(2,3)4/h5-8,19-23,25-27,37-38,42H,9-18,35H2,1-4H3.
What are the key properties of tert-butyl 4-[3-[4-[1-[4-[3-amino-6-(2-hydroxyphenyl)-1,2-dihydropyridazin-4-yl]pyrazol-1-yl]ethyl]piperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate?
tert-butyl 4-[3-[4-[1-[4-[3-amino-6-(2-hydroxyphenyl)-1,2-dihydropyridazin-4-yl]pyrazol-1-yl]ethyl]piperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate has a molecular weight of 619.81 g/mol, XLogP of 4.59, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[4-[1-[4-[3-amino-6-(2-hydroxyphenyl)-1,2-dihydropyridazin-4-yl]pyrazol-1-yl]ethyl]piperidin-1-yl]cyclobutyl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 146340096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).