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

C25H36N6O5 — CID 157365108

IUPACtert-butyl 4-[5-oxo-3-[(2-oxo-3-piperidin-1-ylpropyl)carbamoyl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(=O)[nH]c3c(C(=O)NCC(=O)CN4CCCCC4)cnn23)CC1
InChIInChI=1S/C25H36N6O5/c1-25(2,3)36-24(35)30-11-7-17(8-12-30)20-13-21(33)28-22-19(15-27-31(20)22)23(34)26-14-18(32)16-29-9-5-4-6-10-29/h13,15,17H,4-12,14,16H2,1-3H3,(H,26,34)(H,28,33)
InChIKeyBJBYGKMATARDPB-UHFFFAOYSA-N
MW500.60 g/mol
LogP1.92
Rot. Bonds6

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

tert-butyl 4-[5-oxo-3-[(2-oxo-3-piperidin-1-ylpropyl)carbamoyl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate (PubChem CID 157365108) has the molecular formula C25H36N6O5 and a molecular weight of 500.60 g/mol. Its IUPAC name is tert-butyl 4-[5-oxo-3-[(2-oxo-3-piperidin-1-ylpropyl)carbamoyl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-oxo-3-[(2-oxo-3-piperidin-1-ylpropyl)carbamoyl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
PubChem CID157365108
Molecular FormulaC25H36N6O5
Molecular Weight500.60 g/mol
Exact Mass500.27
IUPAC Nametert-butyl 4-[5-oxo-3-[(2-oxo-3-piperidin-1-ylpropyl)carbamoyl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(=O)[nH]c3c(C(=O)NCC(=O)CN4CCCCC4)cnn23)CC1
InChIInChI=1S/C25H36N6O5/c1-25(2,3)36-24(35)30-11-7-17(8-12-30)20-13-21(33)28-22-19(15-27-31(20)22)23(34)26-14-18(32)16-29-9-5-4-6-10-29/h13,15,17H,4-12,14,16H2,1-3H3,(H,26,34)(H,28,33)
InChIKeyBJBYGKMATARDPB-UHFFFAOYSA-N
XLogP1.92
TPSA129.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

tert-butyl 4-(3-carbamoyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate;2-piperidin-1-ylacetamide
CID 145075487
tert-butyl 4-[3-(methylidenecarbamoyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137018335
tert-butyl 4-[3-(2-bromopropanoyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137251669
tert-butyl 4-[3-[[[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]amino]carbamoyl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137025818
tert-butyl 4-[3-[[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]carbamoyl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137018466
tert-butyl 4-[5-oxo-3-[[(2-pyridin-2-ylacetyl)amino]carbamoyl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137018576
tert-butyl 4-[3-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]carbamoyl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137025959
tert-butyl 4-[3-[[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]carbamoyl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137025879
tert-butyl 4-[3-[N-hydroxy-N-(4-methoxybutanoyl)carbamimidoyl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate;hydrochloride
CID 137251728
tert-butyl 4-[3-(4-cyclohexyl-1,3-thiazol-2-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137025957
tert-butyl 4-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137026113
tert-butyl 4-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137026124

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-oxo-3-[(2-oxo-3-piperidin-1-ylpropyl)carbamoyl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-oxo-3-[(2-oxo-3-piperidin-1-ylpropyl)carbamoyl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate (CID 157365108) is tert-butyl 4-[5-oxo-3-[(2-oxo-3-piperidin-1-ylpropyl)carbamoyl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-oxo-3-[(2-oxo-3-piperidin-1-ylpropyl)carbamoyl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-oxo-3-[(2-oxo-3-piperidin-1-ylpropyl)carbamoyl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc(=O)[nH]c3c(C(=O)NCC(=O)CN4CCCCC4)cnn23)CC1.
What is the InChIKey of tert-butyl 4-[5-oxo-3-[(2-oxo-3-piperidin-1-ylpropyl)carbamoyl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?
The InChIKey is BJBYGKMATARDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O5/c1-25(2,3)36-24(35)30-11-7-17(8-12-30)20-13-21(33)28-22-19(15-27-31(20)22)23(34)26-14-18(32)16-29-9-5-4-6-10-29/h13,15,17H,4-12,14,16H2,1-3H3,(H,26,34)(H,28,33).
What are the key properties of tert-butyl 4-[5-oxo-3-[(2-oxo-3-piperidin-1-ylpropyl)carbamoyl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-oxo-3-[(2-oxo-3-piperidin-1-ylpropyl)carbamoyl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate has a molecular weight of 500.60 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-oxo-3-[(2-oxo-3-piperidin-1-ylpropyl)carbamoyl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate is sourced from PubChem (CID 157365108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).