(4S)-4-cyclopentyl-3-[3-[4-(1,2-dihydrotriazol-3-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one

C22H22FN7O2 — CID 67035358

IUPAC(4S)-4-cyclopentyl-3-[3-[4-(1,2-dihydrotriazol-3-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](C2CCCC2)N1c1ccn2ncc(-c3ccc(N4C=CNN4)c(F)c3)c2n1
InChIInChI=1S/C22H22FN7O2/c23-17-11-15(5-6-18(17)28-10-8-24-27-28)16-12-25-29-9-7-20(26-21(16)29)30-19(13-32-22(30)31)14-3-1-2-4-14/h5-12,14,19,24,27H,1-4,13H2/t19-/m1/s1
InChIKeyQBSOGQSAAOAPEN-LJQANCHMSA-N
MW435.46 g/mol
LogP3.35
Rot. Bonds4

About (4S)-4-cyclopentyl-3-[3-[4-(1,2-dihydrotriazol-3-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one

(4S)-4-cyclopentyl-3-[3-[4-(1,2-dihydrotriazol-3-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one (PubChem CID 67035358) has the molecular formula C22H22FN7O2 and a molecular weight of 435.46 g/mol. Its IUPAC name is (4S)-4-cyclopentyl-3-[3-[4-(1,2-dihydrotriazol-3-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-cyclopentyl-3-[3-[4-(1,2-dihydrotriazol-3-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one
PubChem CID67035358
Molecular FormulaC22H22FN7O2
Molecular Weight435.46 g/mol
Exact Mass435.18
IUPAC Name(4S)-4-cyclopentyl-3-[3-[4-(1,2-dihydrotriazol-3-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](C2CCCC2)N1c1ccn2ncc(-c3ccc(N4C=CNN4)c(F)c3)c2n1
InChIInChI=1S/C22H22FN7O2/c23-17-11-15(5-6-18(17)28-10-8-24-27-28)16-12-25-29-9-7-20(26-21(16)29)30-19(13-32-22(30)31)14-3-1-2-4-14/h5-12,14,19,24,27H,1-4,13H2/t19-/m1/s1
InChIKeyQBSOGQSAAOAPEN-LJQANCHMSA-N
XLogP3.35
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-cyclopentyl-3-[3-[4-(1,2-dihydrotriazol-3-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-cyclopentyl-3-[3-[4-(1,2-dihydrotriazol-3-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one (CID 67035358) is (4S)-4-cyclopentyl-3-[3-[4-(1,2-dihydrotriazol-3-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-cyclopentyl-3-[3-[4-(1,2-dihydrotriazol-3-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-cyclopentyl-3-[3-[4-(1,2-dihydrotriazol-3-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one is O=C1OC[C@H](C2CCCC2)N1c1ccn2ncc(-c3ccc(N4C=CNN4)c(F)c3)c2n1.
What is the InChIKey of (4S)-4-cyclopentyl-3-[3-[4-(1,2-dihydrotriazol-3-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one?
The InChIKey is QBSOGQSAAOAPEN-LJQANCHMSA-N. The full InChI is InChI=1S/C22H22FN7O2/c23-17-11-15(5-6-18(17)28-10-8-24-27-28)16-12-25-29-9-7-20(26-21(16)29)30-19(13-32-22(30)31)14-3-1-2-4-14/h5-12,14,19,24,27H,1-4,13H2/t19-/m1/s1.
What are the key properties of (4S)-4-cyclopentyl-3-[3-[4-(1,2-dihydrotriazol-3-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one?
(4S)-4-cyclopentyl-3-[3-[4-(1,2-dihydrotriazol-3-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one has a molecular weight of 435.46 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-cyclopentyl-3-[3-[4-(1,2-dihydrotriazol-3-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67035358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).