N-[1-(oxan-4-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H25N7O2 — CID 66555267

IUPACN-[1-(oxan-4-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(C2CCNCC2)nn1C1CCOCC1)c1cnn2cccnc12
InChIInChI=1S/C20H25N7O2/c28-20(16-13-23-26-9-1-6-22-19(16)26)24-18-12-17(14-2-7-21-8-3-14)25-27(18)15-4-10-29-11-5-15/h1,6,9,12-15,21H,2-5,7-8,10-11H2,(H,24,28)
InChIKeyVQJKZXIKCUIQOX-UHFFFAOYSA-N
MW395.47 g/mol
LogP2.00
Rot. Bonds4

About N-[1-(oxan-4-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(oxan-4-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66555267) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66555267
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC NameN-[1-(oxan-4-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(C2CCNCC2)nn1C1CCOCC1)c1cnn2cccnc12
InChIInChI=1S/C20H25N7O2/c28-20(16-13-23-26-9-1-6-22-19(16)26)24-18-12-17(14-2-7-21-8-3-14)25-27(18)15-4-10-29-11-5-15/h1,6,9,12-15,21H,2-5,7-8,10-11H2,(H,24,28)
InChIKeyVQJKZXIKCUIQOX-UHFFFAOYSA-N
XLogP2.00
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(oxan-4-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66555267) is N-[1-(oxan-4-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(oxan-4-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(oxan-4-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc(C2CCNCC2)nn1C1CCOCC1)c1cnn2cccnc12.
What is the InChIKey of N-[1-(oxan-4-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VQJKZXIKCUIQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c28-20(16-13-23-26-9-1-6-22-19(16)26)24-18-12-17(14-2-7-21-8-3-14)25-27(18)15-4-10-29-11-5-15/h1,6,9,12-15,21H,2-5,7-8,10-11H2,(H,24,28).
What are the key properties of N-[1-(oxan-4-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(oxan-4-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66555267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).