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

C24H37N7O5 — CID 145075487

IUPACtert-butyl 4-(3-carbamoyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate;2-piperidin-1-ylacetamide
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(=O)[nH]c3c(C(N)=O)cnn23)CC1.NC(=O)CN1CCCCC1
InChIInChI=1S/C17H23N5O4.C7H14N2O/c1-17(2,3)26-16(25)21-6-4-10(5-7-21)12-8-13(23)20-15-11(14(18)24)9-19-22(12)15;8-7(10)6-9-4-2-1-3-5-9/h8-10H,4-7H2,1-3H3,(H2,18,24)(H,20,23);1-6H2,(H2,8,10)
InChIKeyGECUYSFHWZBPOI-UHFFFAOYSA-N
MW503.60 g/mol
LogP1.19
Rot. Bonds4

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

tert-butyl 4-(3-carbamoyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate;2-piperidin-1-ylacetamide (PubChem CID 145075487) has the molecular formula C24H37N7O5 and a molecular weight of 503.60 g/mol. Its IUPAC name is tert-butyl 4-(3-carbamoyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate;2-piperidin-1-ylacetamide.

Molecular Properties

Compound Nametert-butyl 4-(3-carbamoyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate;2-piperidin-1-ylacetamide
PubChem CID145075487
Molecular FormulaC24H37N7O5
Molecular Weight503.60 g/mol
Exact Mass503.29
IUPAC Nametert-butyl 4-(3-carbamoyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate;2-piperidin-1-ylacetamide
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(=O)[nH]c3c(C(N)=O)cnn23)CC1.NC(=O)CN1CCCCC1
InChIInChI=1S/C17H23N5O4.C7H14N2O/c1-17(2,3)26-16(25)21-6-4-10(5-7-21)12-8-13(23)20-15-11(14(18)24)9-19-22(12)15;8-7(10)6-9-4-2-1-3-5-9/h8-10H,4-7H2,1-3H3,(H2,18,24)(H,20,23);1-6H2,(H2,8,10)
InChIKeyGECUYSFHWZBPOI-UHFFFAOYSA-N
XLogP1.19
TPSA169.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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
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-[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-(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-[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-[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-[5-oxo-3-[5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137025801
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
tert-butyl 4-[3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137018253

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-carbamoyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate;2-piperidin-1-ylacetamide?
The IUPAC name of tert-butyl 4-(3-carbamoyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate;2-piperidin-1-ylacetamide (CID 145075487) is tert-butyl 4-(3-carbamoyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate;2-piperidin-1-ylacetamide.
What is the SMILES notation for tert-butyl 4-(3-carbamoyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate;2-piperidin-1-ylacetamide?
The canonical SMILES for tert-butyl 4-(3-carbamoyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate;2-piperidin-1-ylacetamide is CC(C)(C)OC(=O)N1CCC(c2cc(=O)[nH]c3c(C(N)=O)cnn23)CC1.NC(=O)CN1CCCCC1.
What is the InChIKey of tert-butyl 4-(3-carbamoyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate;2-piperidin-1-ylacetamide?
The InChIKey is GECUYSFHWZBPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4.C7H14N2O/c1-17(2,3)26-16(25)21-6-4-10(5-7-21)12-8-13(23)20-15-11(14(18)24)9-19-22(12)15;8-7(10)6-9-4-2-1-3-5-9/h8-10H,4-7H2,1-3H3,(H2,18,24)(H,20,23);1-6H2,(H2,8,10).
What are the key properties of tert-butyl 4-(3-carbamoyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate;2-piperidin-1-ylacetamide?
tert-butyl 4-(3-carbamoyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate;2-piperidin-1-ylacetamide has a molecular weight of 503.60 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-carbamoyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate;2-piperidin-1-ylacetamide is sourced from PubChem (CID 145075487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).