N-[(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]oxolane-3-carboxamide

C17H22FN5O2 — CID 166600954

IUPACN-[(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(F)CCN(c2ccn3nccc3n2)CC1)C1CCOC1
InChIInChI=1S/C17H22FN5O2/c18-17(12-19-16(24)13-3-10-25-11-13)4-8-22(9-5-17)14-2-7-23-15(21-14)1-6-20-23/h1-2,6-7,13H,3-5,8-12H2,(H,19,24)
InChIKeyYUGLBSLEXWCSSY-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.19
Rot. Bonds4

About N-[(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]oxolane-3-carboxamide

N-[(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]oxolane-3-carboxamide (PubChem CID 166600954) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]oxolane-3-carboxamide
PubChem CID166600954
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC NameN-[(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(F)CCN(c2ccn3nccc3n2)CC1)C1CCOC1
InChIInChI=1S/C17H22FN5O2/c18-17(12-19-16(24)13-3-10-25-11-13)4-8-22(9-5-17)14-2-7-23-15(21-14)1-6-20-23/h1-2,6-7,13H,3-5,8-12H2,(H,19,24)
InChIKeyYUGLBSLEXWCSSY-UHFFFAOYSA-N
XLogP1.19
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of N-[(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]oxolane-3-carboxamide (CID 166600954) is N-[(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]oxolane-3-carboxamide is O=C(NCC1(F)CCN(c2ccn3nccc3n2)CC1)C1CCOC1.
What is the InChIKey of N-[(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]oxolane-3-carboxamide?
The InChIKey is YUGLBSLEXWCSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c18-17(12-19-16(24)13-3-10-25-11-13)4-8-22(9-5-17)14-2-7-23-15(21-14)1-6-20-23/h1-2,6-7,13H,3-5,8-12H2,(H,19,24).
What are the key properties of N-[(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]oxolane-3-carboxamide?
N-[(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]oxolane-3-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 166600954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).