6-(2-hydroxyethyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H25N5O3 — CID 91843191

IUPAC6-(2-hydroxyethyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1cnn2cc(CCO)cnc12
InChIInChI=1S/C18H25N5O3/c24-7-4-13-8-19-17-14(9-20-23(17)10-13)18(25)21-15-11-26-12-16(15)22-5-2-1-3-6-22/h8-10,15-16,24H,1-7,11-12H2,(H,21,25)/t15-,16-/m0/s1
InChIKeyQXAZHMWSFDWATI-HOTGVXAUSA-N
MW359.43 g/mol
LogP0.25
Rot. Bonds5

About 6-(2-hydroxyethyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(2-hydroxyethyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 91843191) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID91843191
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name6-(2-hydroxyethyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1cnn2cc(CCO)cnc12
InChIInChI=1S/C18H25N5O3/c24-7-4-13-8-19-17-14(9-20-23(17)10-13)18(25)21-15-11-26-12-16(15)22-5-2-1-3-6-22/h8-10,15-16,24H,1-7,11-12H2,(H,21,25)/t15-,16-/m0/s1
InChIKeyQXAZHMWSFDWATI-HOTGVXAUSA-N
XLogP0.25
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(2-hydroxyethyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 91843191) is 6-(2-hydroxyethyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(2-hydroxyethyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(2-hydroxyethyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1cnn2cc(CCO)cnc12.
What is the InChIKey of 6-(2-hydroxyethyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QXAZHMWSFDWATI-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H25N5O3/c24-7-4-13-8-19-17-14(9-20-23(17)10-13)18(25)21-15-11-26-12-16(15)22-5-2-1-3-6-22/h8-10,15-16,24H,1-7,11-12H2,(H,21,25)/t15-,16-/m0/s1.
What are the key properties of 6-(2-hydroxyethyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(2-hydroxyethyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 91843191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).