tert-butyl 3-[[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidine-1-carboxylate

C20H26BrN7O2 — CID 71108439

IUPACtert-butyl 3-[[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Cc2nc3c(-c4cn[nH]c4)cnn3c(N)c2Br)C1
InChIInChI=1S/C20H26BrN7O2/c1-20(2,3)30-19(29)27-6-4-5-12(11-27)7-15-16(21)17(22)28-18(26-15)14(10-25-28)13-8-23-24-9-13/h8-10,12H,4-7,11,22H2,1-3H3,(H,23,24)
InChIKeyMNWWVWNVLCPPGO-UHFFFAOYSA-N
MW476.38 g/mol
LogP3.65
Rot. Bonds3

About tert-butyl 3-[[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidine-1-carboxylate

tert-butyl 3-[[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidine-1-carboxylate (PubChem CID 71108439) has the molecular formula C20H26BrN7O2 and a molecular weight of 476.38 g/mol. Its IUPAC name is tert-butyl 3-[[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidine-1-carboxylate
PubChem CID71108439
Molecular FormulaC20H26BrN7O2
Molecular Weight476.38 g/mol
Exact Mass475.13
IUPAC Nametert-butyl 3-[[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Cc2nc3c(-c4cn[nH]c4)cnn3c(N)c2Br)C1
InChIInChI=1S/C20H26BrN7O2/c1-20(2,3)30-19(29)27-6-4-5-12(11-27)7-15-16(21)17(22)28-18(26-15)14(10-25-28)13-8-23-24-9-13/h8-10,12H,4-7,11,22H2,1-3H3,(H,23,24)
InChIKeyMNWWVWNVLCPPGO-UHFFFAOYSA-N
XLogP3.65
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (3S)-3-[[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-carboxylate
CID 124942430
tert-butyl 3-[7-amino-6-bromo-3-(5-methylthiophen-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 58972323
tert-butyl 3-[7-(2-morpholin-4-ylethylamino)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 71108668
tert-butyl 3-[7-[(3-methyl-1,2-oxazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 71102619
6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-cyclopentylcarbamate
CID 143656321
tert-butyl (3R)-3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-carboxylate
CID 124941168
6-bromo-5-[2-(propylamino)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71108511
tert-butyl (3S)-3-[(3-chloropyrazin-2-yl)methyl]piperidine-1-carboxylate
CID 124947383
tert-butyl 3-[(3,5-difluoro-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 135135166
tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 59427789
tert-butyl (3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidine-1-carboxylate
CID 146286115
tert-butyl (3S)-3-(pyrimidin-2-ylmethyl)piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidine-1-carboxylate (CID 71108439) is tert-butyl 3-[[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(Cc2nc3c(-c4cn[nH]c4)cnn3c(N)c2Br)C1.
What is the InChIKey of tert-butyl 3-[[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidine-1-carboxylate?
The InChIKey is MNWWVWNVLCPPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN7O2/c1-20(2,3)30-19(29)27-6-4-5-12(11-27)7-15-16(21)17(22)28-18(26-15)14(10-25-28)13-8-23-24-9-13/h8-10,12H,4-7,11,22H2,1-3H3,(H,23,24).
What are the key properties of tert-butyl 3-[[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidine-1-carboxylate?
tert-butyl 3-[[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidine-1-carboxylate has a molecular weight of 476.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 71108439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).