N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]butanamide

C18H28N6O2 — CID 137263131

IUPACN-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1
InChIInChI=1S/C18H28N6O2/c1-5-7-14(25)20-12-8-6-9-23(11-12)17-21-15-13(16(26)22-17)10-19-24(15)18(2,3)4/h10,12H,5-9,11H2,1-4H3,(H,20,25)(H,21,22,26)
InChIKeyWARNPKYCQVMTPG-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.76
Rot. Bonds4

About N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]butanamide

N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]butanamide (PubChem CID 137263131) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]butanamide
PubChem CID137263131
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC NameN-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1
InChIInChI=1S/C18H28N6O2/c1-5-7-14(25)20-12-8-6-9-23(11-12)17-21-15-13(16(26)22-17)10-19-24(15)18(2,3)4/h10,12H,5-9,11H2,1-4H3,(H,20,25)(H,21,22,26)
InChIKeyWARNPKYCQVMTPG-UHFFFAOYSA-N
XLogP1.76
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]butanamide?
The IUPAC name of N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]butanamide (CID 137263131) is N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]butanamide.
What is the SMILES notation for N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]butanamide?
The canonical SMILES for N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]butanamide is CCCC(=O)NC1CCCN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1.
What is the InChIKey of N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]butanamide?
The InChIKey is WARNPKYCQVMTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-5-7-14(25)20-12-8-6-9-23(11-12)17-21-15-13(16(26)22-17)10-19-24(15)18(2,3)4/h10,12H,5-9,11H2,1-4H3,(H,20,25)(H,21,22,26).
What are the key properties of N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]butanamide?
N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]butanamide has a molecular weight of 360.46 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]butanamide is sourced from PubChem (CID 137263131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).