tert-butyl N-[(3-aminophenyl)methyl]-N-(5-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate

C26H36N6O2 — CID 170358401

IUPACtert-butyl N-[(3-aminophenyl)methyl]-N-(5-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate
SMILESCC(C)c1cnn2c(N(Cc3cccc(N)c3)C(=O)OC(C)(C)C)cc(C3CCNCC3)nc12
InChIInChI=1S/C26H36N6O2/c1-17(2)21-15-29-32-23(14-22(30-24(21)32)19-9-11-28-12-10-19)31(25(33)34-26(3,4)5)16-18-7-6-8-20(27)13-18/h6-8,13-15,17,19,28H,9-12,16,27H2,1-5H3
InChIKeyRZVHCFUIKQXKCB-UHFFFAOYSA-N
MW464.61 g/mol
LogP4.84
Rot. Bonds5

About tert-butyl N-[(3-aminophenyl)methyl]-N-(5-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate

tert-butyl N-[(3-aminophenyl)methyl]-N-(5-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate (PubChem CID 170358401) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is tert-butyl N-[(3-aminophenyl)methyl]-N-(5-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-aminophenyl)methyl]-N-(5-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate
PubChem CID170358401
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC Nametert-butyl N-[(3-aminophenyl)methyl]-N-(5-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate
SMILESCC(C)c1cnn2c(N(Cc3cccc(N)c3)C(=O)OC(C)(C)C)cc(C3CCNCC3)nc12
InChIInChI=1S/C26H36N6O2/c1-17(2)21-15-29-32-23(14-22(30-24(21)32)19-9-11-28-12-10-19)31(25(33)34-26(3,4)5)16-18-7-6-8-20(27)13-18/h6-8,13-15,17,19,28H,9-12,16,27H2,1-5H3
InChIKeyRZVHCFUIKQXKCB-UHFFFAOYSA-N
XLogP4.84
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[4-[7-[(3-aminophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2,2-dimethylpropanoic acid
CID 170358151
tert-butyl N-[(3-aminophenyl)methyl]-N-piperidin-4-ylcarbamate
CID 69427895
tert-butyl (5S)-5-[[1-[4-[(3-aminophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]-2-methylpropan-2-yl]oxycarbonylamino]-2,2-dimethylpiperidine-1-carboxylate
CID 170358186
tert-butyl N-benzyl-N-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]carbamate
CID 59534344
tert-butyl N-[5-(2,5-dihydropyridin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]methyl]carbamate
CID 175980204
tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[[3-(3-methylbut-2-enoylamino)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate
CID 170599102
tert-butyl N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[[3-[4-(prop-2-enoylamino)pyrazol-1-yl]phenyl]methyl]carbamate
CID 170358179
tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpyrazol-3-yl)methyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate
CID 172801824
(1-but-2-ynoylpyrrolidin-3-yl) 4-[(5-cyclopropyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
CID 171798674
tert-butyl (5R)-2,2-dimethyl-5-[2-methyl-1-[7-[(2-methylpropan-2-yl)oxycarbonyl-[[3-[[3-(prop-2-enoylamino)benzoyl]amino]phenyl]methyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxypropan-2-yl]piperidine-1-carboxylate
CID 170358204
tert-butyl N-(3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(pyridin-3-ylmethyl)carbamate
CID 21068477
tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[imidazo[1,2-a]pyridin-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate
CID 156790949

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-aminophenyl)methyl]-N-(5-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate?
The IUPAC name of tert-butyl N-[(3-aminophenyl)methyl]-N-(5-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate (CID 170358401) is tert-butyl N-[(3-aminophenyl)methyl]-N-(5-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate.
What is the SMILES notation for tert-butyl N-[(3-aminophenyl)methyl]-N-(5-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate?
The canonical SMILES for tert-butyl N-[(3-aminophenyl)methyl]-N-(5-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate is CC(C)c1cnn2c(N(Cc3cccc(N)c3)C(=O)OC(C)(C)C)cc(C3CCNCC3)nc12.
What is the InChIKey of tert-butyl N-[(3-aminophenyl)methyl]-N-(5-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate?
The InChIKey is RZVHCFUIKQXKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-17(2)21-15-29-32-23(14-22(30-24(21)32)19-9-11-28-12-10-19)31(25(33)34-26(3,4)5)16-18-7-6-8-20(27)13-18/h6-8,13-15,17,19,28H,9-12,16,27H2,1-5H3.
What are the key properties of tert-butyl N-[(3-aminophenyl)methyl]-N-(5-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate?
tert-butyl N-[(3-aminophenyl)methyl]-N-(5-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate has a molecular weight of 464.61 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-aminophenyl)methyl]-N-(5-piperidin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate is sourced from PubChem (CID 170358401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).