(2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine

C16H16FN5O — CID 36726848

IUPAC(2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESCn1ncc2c(N3CCO[C@@H](c4ccc(F)cc4)C3)ncnc21
InChIInChI=1S/C16H16FN5O/c1-21-15-13(8-20-21)16(19-10-18-15)22-6-7-23-14(9-22)11-2-4-12(17)5-3-11/h2-5,8,10,14H,6-7,9H2,1H3/t14-/m1/s1
InChIKeyVOQNWFPLGSFBKA-CQSZACIVSA-N
MW313.34 g/mol
LogP2.08
Rot. Bonds2

About (2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine

(2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine (PubChem CID 36726848) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
PubChem CID36726848
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name(2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESCn1ncc2c(N3CCO[C@@H](c4ccc(F)cc4)C3)ncnc21
InChIInChI=1S/C16H16FN5O/c1-21-15-13(8-20-21)16(19-10-18-15)22-6-7-23-14(9-22)11-2-4-12(17)5-3-11/h2-5,8,10,14H,6-7,9H2,1H3/t14-/m1/s1
InChIKeyVOQNWFPLGSFBKA-CQSZACIVSA-N
XLogP2.08
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 86808286
(2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 94180497
4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 33379975
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 66435958
(2R)-2-(4-fluorophenyl)-4-methylmorpholine
CID 67355003
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
5-(4-fluorophenyl)-2-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole
CID 18151880
(2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 7197181
(2R)-2-(4-chlorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 94032612
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897
4-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 47053328
(2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine
CID 95709255

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The IUPAC name of (2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine (CID 36726848) is (2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine is Cn1ncc2c(N3CCO[C@@H](c4ccc(F)cc4)C3)ncnc21.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The InChIKey is VOQNWFPLGSFBKA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-21-15-13(8-20-21)16(19-10-18-15)22-6-7-23-14(9-22)11-2-4-12(17)5-3-11/h2-5,8,10,14H,6-7,9H2,1H3/t14-/m1/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
(2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine has a molecular weight of 313.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 36726848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).