N-[1-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine

C23H25FN6O2 — CID 155126883

IUPACN-[1-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(Nc1ccn2ncc(-c3cn[nH]c3)c2n1)c1cc(F)ccc1OCC1CCOCC1
InChIInChI=1S/C23H25FN6O2/c1-15(19-10-18(24)2-3-21(19)32-14-16-5-8-31-9-6-16)28-22-4-7-30-23(29-22)20(13-27-30)17-11-25-26-12-17/h2-4,7,10-13,15-16H,5-6,8-9,14H2,1H3,(H,25,26)(H,28,29)
InChIKeyOLOPKLKUXQMLRE-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.24
Rot. Bonds7

About N-[1-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine

N-[1-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 155126883) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[1-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[1-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID155126883
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC NameN-[1-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(Nc1ccn2ncc(-c3cn[nH]c3)c2n1)c1cc(F)ccc1OCC1CCOCC1
InChIInChI=1S/C23H25FN6O2/c1-15(19-10-18(24)2-3-21(19)32-14-16-5-8-31-9-6-16)28-22-4-7-30-23(29-22)20(13-27-30)17-11-25-26-12-17/h2-4,7,10-13,15-16H,5-6,8-9,14H2,1H3,(H,25,26)(H,28,29)
InChIKeyOLOPKLKUXQMLRE-UHFFFAOYSA-N
XLogP4.24
TPSA89.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[1-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 155126883) is N-[1-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[1-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[1-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine is CC(Nc1ccn2ncc(-c3cn[nH]c3)c2n1)c1cc(F)ccc1OCC1CCOCC1.
What is the InChIKey of N-[1-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is OLOPKLKUXQMLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-15(19-10-18(24)2-3-21(19)32-14-16-5-8-31-9-6-16)28-22-4-7-30-23(29-22)20(13-27-30)17-11-25-26-12-17/h2-4,7,10-13,15-16H,5-6,8-9,14H2,1H3,(H,25,26)(H,28,29).
What are the key properties of N-[1-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
N-[1-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 436.49 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 155126883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).