5-[(2R)-4,4-difluoro-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C16H11F3N6 — CID 129137813

IUPAC5-[(2R)-4,4-difluoro-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2ccc(N3CC(F)(F)C[C@@H]3c3cncc(F)c3)nc12
InChIInChI=1S/C16H11F3N6/c17-12-3-10(6-21-8-12)13-4-16(18,19)9-24(13)14-1-2-25-15(23-14)11(5-20)7-22-25/h1-3,6-8,13H,4,9H2/t13-/m1/s1
InChIKeyRIPMGJDKYGULEO-CYBMUJFWSA-N
MW344.30 g/mol
LogP2.72
Rot. Bonds2

About 5-[(2R)-4,4-difluoro-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-[(2R)-4,4-difluoro-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 129137813) has the molecular formula C16H11F3N6 and a molecular weight of 344.30 g/mol. Its IUPAC name is 5-[(2R)-4,4-difluoro-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2R)-4,4-difluoro-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID129137813
Molecular FormulaC16H11F3N6
Molecular Weight344.30 g/mol
Exact Mass344.10
IUPAC Name5-[(2R)-4,4-difluoro-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2ccc(N3CC(F)(F)C[C@@H]3c3cncc(F)c3)nc12
InChIInChI=1S/C16H11F3N6/c17-12-3-10(6-21-8-12)13-4-16(18,19)9-24(13)14-1-2-25-15(23-14)11(5-20)7-22-25/h1-3,6-8,13H,4,9H2/t13-/m1/s1
InChIKeyRIPMGJDKYGULEO-CYBMUJFWSA-N
XLogP2.72
TPSA70.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2R,4S)-4-fluoro-2-(3-fluoro-5-methylphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 129148028
N-tert-butyl-5-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500241
methyl N-[5-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]carbamate
CID 56944663
5-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56943889
1-cyclopropyl-3-[5-[(2R)-2-(2,5-difluorophenyl)-4,4-difluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thiourea
CID 162355472
5-[4-fluoro-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123732955
S-(3-fluorophenyl)thiohydroxylamine;5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 145315376
5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67501208
N'-acetyl-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 121395159
5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500608
(2E)-2-[[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]butanoic acid
CID 121394932
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-ethynylpyrazolo[1,5-a]pyrimidine
CID 121395277

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-4,4-difluoro-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-[(2R)-4,4-difluoro-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 129137813) is 5-[(2R)-4,4-difluoro-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-[(2R)-4,4-difluoro-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-[(2R)-4,4-difluoro-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2ccc(N3CC(F)(F)C[C@@H]3c3cncc(F)c3)nc12.
What is the InChIKey of 5-[(2R)-4,4-difluoro-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is RIPMGJDKYGULEO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H11F3N6/c17-12-3-10(6-21-8-12)13-4-16(18,19)9-24(13)14-1-2-25-15(23-14)11(5-20)7-22-25/h1-3,6-8,13H,4,9H2/t13-/m1/s1.
What are the key properties of 5-[(2R)-4,4-difluoro-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-[(2R)-4,4-difluoro-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 344.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-4,4-difluoro-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 129137813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).