5-[7-[(3R,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one

C25H22FN5O2 — CID 122656133

IUPAC5-[7-[(3R,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(-c4ccccc4)nn4c(N5CC[C@@H](O)[C@H](F)C5)nccc34)ccc2N1
InChIInChI=1S/C25H22FN5O2/c26-18-14-30(11-9-21(18)32)25-27-10-8-20-23(16-6-7-19-17(12-16)13-22(33)28-19)24(29-31(20)25)15-4-2-1-3-5-15/h1-8,10,12,18,21,32H,9,11,13-14H2,(H,28,33)/t18-,21-/m1/s1
InChIKeyCUBOONTZRARFCH-WIYYLYMNSA-N
MW443.48 g/mol
LogP3.47
Rot. Bonds3

About 5-[7-[(3R,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one

5-[7-[(3R,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 122656133) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 5-[7-[(3R,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[7-[(3R,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one
PubChem CID122656133
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name5-[7-[(3R,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(-c4ccccc4)nn4c(N5CC[C@@H](O)[C@H](F)C5)nccc34)ccc2N1
InChIInChI=1S/C25H22FN5O2/c26-18-14-30(11-9-21(18)32)25-27-10-8-20-23(16-6-7-19-17(12-16)13-22(33)28-19)24(29-31(20)25)15-4-2-1-3-5-15/h1-8,10,12,18,21,32H,9,11,13-14H2,(H,28,33)/t18-,21-/m1/s1
InChIKeyCUBOONTZRARFCH-WIYYLYMNSA-N
XLogP3.47
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[7-[(3R,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[7-[(3R,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one (CID 122656133) is 5-[7-[(3R,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[7-[(3R,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[7-[(3R,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3c(-c4ccccc4)nn4c(N5CC[C@@H](O)[C@H](F)C5)nccc34)ccc2N1.
What is the InChIKey of 5-[7-[(3R,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is CUBOONTZRARFCH-WIYYLYMNSA-N. The full InChI is InChI=1S/C25H22FN5O2/c26-18-14-30(11-9-21(18)32)25-27-10-8-20-23(16-6-7-19-17(12-16)13-22(33)28-19)24(29-31(20)25)15-4-2-1-3-5-15/h1-8,10,12,18,21,32H,9,11,13-14H2,(H,28,33)/t18-,21-/m1/s1.
What are the key properties of 5-[7-[(3R,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one?
5-[7-[(3R,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 443.48 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[(3R,4R)-3-fluoro-4-hydroxypiperidin-1-yl]-2-phenylpyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122656133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).