tert-butyl 4-[2-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-3-pyridinyl]piperazine-1-carboxylate

C25H36N6O2 — CID 169092589

IUPACtert-butyl 4-[2-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-3-pyridinyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cccnc2-c2cn(C3CC(CN)C3)nc2C2CC2)CC1
InChIInChI=1S/C25H36N6O2/c1-25(2,3)33-24(32)30-11-9-29(10-12-30)21-5-4-8-27-23(21)20-16-31(19-13-17(14-19)15-26)28-22(20)18-6-7-18/h4-5,8,16-19H,6-7,9-15,26H2,1-3H3
InChIKeyIQKNXYBPYFLJGR-UHFFFAOYSA-N
MW452.60 g/mol
LogP3.79
Rot. Bonds5

About tert-butyl 4-[2-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-3-pyridinyl]piperazine-1-carboxylate

tert-butyl 4-[2-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-3-pyridinyl]piperazine-1-carboxylate (PubChem CID 169092589) has the molecular formula C25H36N6O2 and a molecular weight of 452.60 g/mol. Its IUPAC name is tert-butyl 4-[2-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-3-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-3-pyridinyl]piperazine-1-carboxylate
PubChem CID169092589
Molecular FormulaC25H36N6O2
Molecular Weight452.60 g/mol
Exact Mass452.29
IUPAC Nametert-butyl 4-[2-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-3-pyridinyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cccnc2-c2cn(C3CC(CN)C3)nc2C2CC2)CC1
InChIInChI=1S/C25H36N6O2/c1-25(2,3)33-24(32)30-11-9-29(10-12-30)21-5-4-8-27-23(21)20-16-31(19-13-17(14-19)15-26)28-22(20)18-6-7-18/h4-5,8,16-19H,6-7,9-15,26H2,1-3H3
InChIKeyIQKNXYBPYFLJGR-UHFFFAOYSA-N
XLogP3.79
TPSA89.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[2-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-3-pyridinyl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[6-[3-cyclopropyl-1-[3-[(1,3-dioxoisoindol-2-yl)methyl]cyclobutyl]pyrazol-4-yl]-2-pyridinyl]azetidine-1-carboxylate
CID 169092688
[3-[3-cyclopropyl-4-[5-(4-methylpiperazin-1-yl)quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]methanamine
CID 170777906
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 131739918
tert-butyl 3-[3-[3-cyclopropyl-1-[3-(hydroxymethyl)cyclobutyl]pyrazol-4-yl]quinoxalin-6-yl]azetidine-1-carboxylate
CID 176550475
tert-butyl N-[[3-[3-cyclopropyl-4-[2-(dimethylamino)phenyl]pyrazol-1-yl]cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 176550492
tert-butyl 4-[2-(aminomethyl)-4-(2-ethoxy-3-pyridinyl)phenyl]piperazine-1-carboxylate
CID 170576656
tert-butyl 4-(5-aminoquinolin-8-yl)piperazine-1-carboxylate
CID 75537190
2-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-3-methylpyridine
CID 166993578
tert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 138487958
tert-butyl 4-[3-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 168503568
tert-butyl 3-[3-[3-cyclopropyl-1-[3-[(1,3-dioxoisoindol-2-yl)methyl]cyclobutyl]pyrazol-4-yl]quinoxalin-6-yl]azetidine-1-carboxylate
CID 176550429
tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-3-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-3-pyridinyl]piperazine-1-carboxylate (CID 169092589) is tert-butyl 4-[2-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-3-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-3-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-3-pyridinyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2cn(C3CC(CN)C3)nc2C2CC2)CC1.
What is the InChIKey of tert-butyl 4-[2-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-3-pyridinyl]piperazine-1-carboxylate?
The InChIKey is IQKNXYBPYFLJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O2/c1-25(2,3)33-24(32)30-11-9-29(10-12-30)21-5-4-8-27-23(21)20-16-31(19-13-17(14-19)15-26)28-22(20)18-6-7-18/h4-5,8,16-19H,6-7,9-15,26H2,1-3H3.
What are the key properties of tert-butyl 4-[2-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-3-pyridinyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-3-pyridinyl]piperazine-1-carboxylate has a molecular weight of 452.60 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-3-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 169092589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).