N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide

C17H22N6O2 — CID 53168008

IUPACN-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide
SMILESO=C(Nc1cnn(-c2ncc(N3CCCCC3)cn2)c1)C1CCCO1
InChIInChI=1S/C17H22N6O2/c24-16(15-5-4-8-25-15)21-13-9-20-23(12-13)17-18-10-14(11-19-17)22-6-2-1-3-7-22/h9-12,15H,1-8H2,(H,21,24)
InChIKeyVXTSOIBKXLGBPR-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.77
Rot. Bonds4

About N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide

N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide (PubChem CID 53168008) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide
PubChem CID53168008
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide
SMILESO=C(Nc1cnn(-c2ncc(N3CCCCC3)cn2)c1)C1CCCO1
InChIInChI=1S/C17H22N6O2/c24-16(15-5-4-8-25-15)21-13-9-20-23(12-13)17-18-10-14(11-19-17)22-6-2-1-3-7-22/h9-12,15H,1-8H2,(H,21,24)
InChIKeyVXTSOIBKXLGBPR-UHFFFAOYSA-N
XLogP1.77
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide?
The IUPAC name of N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide (CID 53168008) is N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide is O=C(Nc1cnn(-c2ncc(N3CCCCC3)cn2)c1)C1CCCO1.
What is the InChIKey of N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide?
The InChIKey is VXTSOIBKXLGBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c24-16(15-5-4-8-25-15)21-13-9-20-23(12-13)17-18-10-14(11-19-17)22-6-2-1-3-7-22/h9-12,15H,1-8H2,(H,21,24).
What are the key properties of N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide?
N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 53168008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).