tert-butyl N-[(1R,3R)-3-[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentyl]carbamate

C19H24BrN7O2 — CID 143440074

IUPACtert-butyl N-[(1R,3R)-3-[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2nc3c(-c4cn[nH]c4)cnn3c(N)c2Br)C1
InChIInChI=1S/C19H24BrN7O2/c1-19(2,3)29-18(28)25-12-5-4-10(6-12)15-14(20)16(21)27-17(26-15)13(9-24-27)11-7-22-23-8-11/h7-10,12H,4-6,21H2,1-3H3,(H,22,23)(H,25,28)/t10-,12-/m1/s1
InChIKeyXSZOZUNHECISLN-ZYHUDNBSSA-N
MW462.35 g/mol
LogP3.62
Rot. Bonds3

About tert-butyl N-[(1R,3R)-3-[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentyl]carbamate

tert-butyl N-[(1R,3R)-3-[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentyl]carbamate (PubChem CID 143440074) has the molecular formula C19H24BrN7O2 and a molecular weight of 462.35 g/mol. Its IUPAC name is tert-butyl N-[(1R,3R)-3-[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3R)-3-[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentyl]carbamate
PubChem CID143440074
Molecular FormulaC19H24BrN7O2
Molecular Weight462.35 g/mol
Exact Mass461.12
IUPAC Nametert-butyl N-[(1R,3R)-3-[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2nc3c(-c4cn[nH]c4)cnn3c(N)c2Br)C1
InChIInChI=1S/C19H24BrN7O2/c1-19(2,3)29-18(28)25-12-5-4-10(6-12)15-14(20)16(21)27-17(26-15)13(9-24-27)11-7-22-23-8-11/h7-10,12H,4-6,21H2,1-3H3,(H,22,23)(H,25,28)/t10-,12-/m1/s1
InChIKeyXSZOZUNHECISLN-ZYHUDNBSSA-N
XLogP3.62
TPSA123.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.35
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-cyclopentylcarbamate
CID 143656321
5-(3-aminocyclohexyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 78010982
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
6-bromo-5-piperidin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71108599
tert-butyl N-[4-[6-bromo-7-(dimethylamino)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate
CID 91349808
tert-butyl N-[(3S)-1-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]carbamate
CID 58972318
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 N-[(3S)-1-(7-amino-3,6-dibromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]carbamate
CID 58972390
tert-butyl (2S,5S)-5-[7-amino-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate
CID 71108431
1-acetyl-5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid
CID 58173358
tert-butyl (2S,5S)-5-[6-bromo-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-(N-methoxy-C-methylcarbonimidoyl)piperidine-1-carboxylate
CID 90724227
4-[7-amino-6-bromo-3-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
CID 58173502

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3R)-3-[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3R)-3-[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentyl]carbamate (CID 143440074) is tert-butyl N-[(1R,3R)-3-[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3R)-3-[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3R)-3-[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2nc3c(-c4cn[nH]c4)cnn3c(N)c2Br)C1.
What is the InChIKey of tert-butyl N-[(1R,3R)-3-[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentyl]carbamate?
The InChIKey is XSZOZUNHECISLN-ZYHUDNBSSA-N. The full InChI is InChI=1S/C19H24BrN7O2/c1-19(2,3)29-18(28)25-12-5-4-10(6-12)15-14(20)16(21)27-17(26-15)13(9-24-27)11-7-22-23-8-11/h7-10,12H,4-6,21H2,1-3H3,(H,22,23)(H,25,28)/t10-,12-/m1/s1.
What are the key properties of tert-butyl N-[(1R,3R)-3-[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentyl]carbamate?
tert-butyl N-[(1R,3R)-3-[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentyl]carbamate has a molecular weight of 462.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3R)-3-[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentyl]carbamate is sourced from PubChem (CID 143440074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).