tert-butyl 4-[3-(2-methylpropylcarbamoyl)-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate

C27H35N5O4 — CID 137018222

IUPACtert-butyl 4-[3-(2-methylpropylcarbamoyl)-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
SMILESCC(C)CNC(=O)c1c(-c2ccccc2)nn2c(C3CCN(C(=O)OC(C)(C)C)CC3)cc(=O)[nH]c12
InChIInChI=1S/C27H35N5O4/c1-17(2)16-28-25(34)22-23(19-9-7-6-8-10-19)30-32-20(15-21(33)29-24(22)32)18-11-13-31(14-12-18)26(35)36-27(3,4)5/h6-10,15,17-18H,11-14,16H2,1-5H3,(H,28,34)(H,29,33)
InChIKeyGWWRRXRNWNBNBU-UHFFFAOYSA-N
MW493.61 g/mol
LogP4.19
Rot. Bonds5

About tert-butyl 4-[3-(2-methylpropylcarbamoyl)-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate

tert-butyl 4-[3-(2-methylpropylcarbamoyl)-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate (PubChem CID 137018222) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is tert-butyl 4-[3-(2-methylpropylcarbamoyl)-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(2-methylpropylcarbamoyl)-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
PubChem CID137018222
Molecular FormulaC27H35N5O4
Molecular Weight493.61 g/mol
Exact Mass493.27
IUPAC Nametert-butyl 4-[3-(2-methylpropylcarbamoyl)-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
SMILESCC(C)CNC(=O)c1c(-c2ccccc2)nn2c(C3CCN(C(=O)OC(C)(C)C)CC3)cc(=O)[nH]c12
InChIInChI=1S/C27H35N5O4/c1-17(2)16-28-25(34)22-23(19-9-7-6-8-10-19)30-32-20(15-21(33)29-24(22)32)18-11-13-31(14-12-18)26(35)36-27(3,4)5/h6-10,15,17-18H,11-14,16H2,1-5H3,(H,28,34)(H,29,33)
InChIKeyGWWRRXRNWNBNBU-UHFFFAOYSA-N
XLogP4.19
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[3-(2-methylpropylcarbamoyl)-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

4-[3-(2-methylpropylcarbamoyl)-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid
CID 137026029
N-butyl-7-[1-(2-methylpropyl)piperidin-4-yl]-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 174866518
tert-butyl 4-(2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylate
CID 136962861
tert-butyl 4-(4-oxo-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-6-yl)piperidine-1-carboxylate
CID 136962650
tert-butyl 4-[2-oxo-10-(pyridine-2-carbonylamino)-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylate
CID 137053819
tert-butyl 4-[10-(dimethylcarbamoyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylate
CID 137066334
tert-butyl 4-[10-[(4-fluorophenyl)methylcarbamoyl]-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylate
CID 137053888
4-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-1H-pyrimido[1,2-b]indazol-10-yl]carbamoyl]piperazine-1-carboxylic acid
CID 137054001
ethyl 5-oxo-2-phenyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 137018322
tert-butyl 4-[10-(tert-butylcarbamoylamino)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylate
CID 137054009
tert-butyl 4-[3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137018216
tert-butyl 4-(7,9-dichloro-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylate
CID 136962864

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(2-methylpropylcarbamoyl)-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(2-methylpropylcarbamoyl)-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate (CID 137018222) is tert-butyl 4-[3-(2-methylpropylcarbamoyl)-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(2-methylpropylcarbamoyl)-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(2-methylpropylcarbamoyl)-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate is CC(C)CNC(=O)c1c(-c2ccccc2)nn2c(C3CCN(C(=O)OC(C)(C)C)CC3)cc(=O)[nH]c12.
What is the InChIKey of tert-butyl 4-[3-(2-methylpropylcarbamoyl)-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?
The InChIKey is GWWRRXRNWNBNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O4/c1-17(2)16-28-25(34)22-23(19-9-7-6-8-10-19)30-32-20(15-21(33)29-24(22)32)18-11-13-31(14-12-18)26(35)36-27(3,4)5/h6-10,15,17-18H,11-14,16H2,1-5H3,(H,28,34)(H,29,33).
What are the key properties of tert-butyl 4-[3-(2-methylpropylcarbamoyl)-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-(2-methylpropylcarbamoyl)-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate has a molecular weight of 493.61 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(2-methylpropylcarbamoyl)-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate is sourced from PubChem (CID 137018222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).