5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol

C16H15F2N5O — CID 128963738

IUPAC5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESCn1ncc2c(N3CC(O)CC3c3ccc(F)c(F)c3)ncnc21
InChIInChI=1S/C16H15F2N5O/c1-22-15-11(6-21-22)16(20-8-19-15)23-7-10(24)5-14(23)9-2-3-12(17)13(18)4-9/h2-4,6,8,10,14,24H,5,7H2,1H3
InChIKeyNTEVBJFPIKZCRX-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.95
Rot. Bonds2

About 5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol

5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 128963738) has the molecular formula C16H15F2N5O and a molecular weight of 331.33 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID128963738
Molecular FormulaC16H15F2N5O
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESCn1ncc2c(N3CC(O)CC3c3ccc(F)c(F)c3)ncnc21
InChIInChI=1S/C16H15F2N5O/c1-22-15-11(6-21-22)16(20-8-19-15)23-7-10(24)5-14(23)9-2-3-12(17)13(18)4-9/h2-4,6,8,10,14,24H,5,7H2,1H3
InChIKeyNTEVBJFPIKZCRX-UHFFFAOYSA-N
XLogP1.95
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,5R)-5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-ol
CID 129350777
6-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile
CID 100664303
5-(3,4-difluorophenyl)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-ol
CID 128963877
(3S,5R)-5-(3,4-difluorophenyl)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-ol
CID 100615084
5-(3,4-difluorophenyl)-1-(4,5-dimethylpyrimidin-2-yl)pyrrolidin-3-ol
CID 128975512
4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 33379975
4-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 42891735
5-(2,5-difluorophenyl)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-ol
CID 128975508
2-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile
CID 100684056
(3R,5S)-5-(3,4-difluorophenyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 124738521
[(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929111
(3R,5R)-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-5-(3,4-difluorophenyl)pyrrolidin-3-ol
CID 129350498

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol (CID 128963738) is 5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol is Cn1ncc2c(N3CC(O)CC3c3ccc(F)c(F)c3)ncnc21.
What is the InChIKey of 5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is NTEVBJFPIKZCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O/c1-22-15-11(6-21-22)16(20-8-19-15)23-7-10(24)5-14(23)9-2-3-12(17)13(18)4-9/h2-4,6,8,10,14,24H,5,7H2,1H3.
What are the key properties of 5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol?
5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 331.33 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 128963738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).