(3R)-1-[2,3-difluoro-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]phenyl]pyrrolidin-3-ol

C21H19F2N5O — CID 155779894

IUPAC(3R)-1-[2,3-difluoro-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]phenyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2cc(C3CC3c3cnc(-c4ncccn4)nc3)cc(F)c2F)C1
InChIInChI=1S/C21H19F2N5O/c22-17-6-12(7-18(19(17)23)28-5-2-14(29)11-28)15-8-16(15)13-9-26-21(27-10-13)20-24-3-1-4-25-20/h1,3-4,6-7,9-10,14-16,29H,2,5,8,11H2/t14-,15?,16?/m1/s1
InChIKeyBCTNQMUXBSBVEB-QQFBHYJXSA-N
MW395.41 g/mol
LogP3.05
Rot. Bonds4

About (3R)-1-[2,3-difluoro-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]phenyl]pyrrolidin-3-ol

(3R)-1-[2,3-difluoro-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]phenyl]pyrrolidin-3-ol (PubChem CID 155779894) has the molecular formula C21H19F2N5O and a molecular weight of 395.41 g/mol. Its IUPAC name is (3R)-1-[2,3-difluoro-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2,3-difluoro-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]phenyl]pyrrolidin-3-ol
PubChem CID155779894
Molecular FormulaC21H19F2N5O
Molecular Weight395.41 g/mol
Exact Mass395.16
IUPAC Name(3R)-1-[2,3-difluoro-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]phenyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2cc(C3CC3c3cnc(-c4ncccn4)nc3)cc(F)c2F)C1
InChIInChI=1S/C21H19F2N5O/c22-17-6-12(7-18(19(17)23)28-5-2-14(29)11-28)15-8-16(15)13-9-26-21(27-10-13)20-24-3-1-4-25-20/h1,3-4,6-7,9-10,14-16,29H,2,5,8,11H2/t14-,15?,16?/m1/s1
InChIKeyBCTNQMUXBSBVEB-QQFBHYJXSA-N
XLogP3.05
TPSA75.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[2,3-difluoro-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]phenyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1R,2S)-2-(3,4-difluoro-5-pyrrolidin-1-ylphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780081
5-[2-[3-[(3S,4R)-3,4-dimethoxypyrrolidin-1-yl]-4,5-difluorophenyl]cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780323
5-[2-[3-(3,4-difluoropyrrol-1-yl)-4,5-difluorophenyl]cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780326
6-[2,3-difluoro-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]phenyl]-2-oxa-6-azaspiro[3.3]heptane
CID 155779860
5-[(1R,2S)-2-[3,4-difluoro-5-[3-(2-methoxyethoxy)azetidin-1-yl]phenyl]cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780186
1-[2,3-difluoro-5-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]phenyl]pyrazol-4-ol
CID 155780099
5-[(1R,2R)-2-[4-fluoro-3-(4-methylsulfonylpiperazin-1-yl)phenyl]cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780084
5-[2-(4-fluoro-3-methoxy-5-methylphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780306
(3S)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;hydrochloride
CID 140703881
2-[5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyridinyl]pyrimidine
CID 155780225
4-fluoro-1-(3-methoxypropyl)-6-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzimidazole
CID 155780214
1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 74243840

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2,3-difluoro-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]phenyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[2,3-difluoro-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]phenyl]pyrrolidin-3-ol (CID 155779894) is (3R)-1-[2,3-difluoro-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]phenyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[2,3-difluoro-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]phenyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[2,3-difluoro-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]phenyl]pyrrolidin-3-ol is O[C@@H]1CCN(c2cc(C3CC3c3cnc(-c4ncccn4)nc3)cc(F)c2F)C1.
What is the InChIKey of (3R)-1-[2,3-difluoro-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]phenyl]pyrrolidin-3-ol?
The InChIKey is BCTNQMUXBSBVEB-QQFBHYJXSA-N. The full InChI is InChI=1S/C21H19F2N5O/c22-17-6-12(7-18(19(17)23)28-5-2-14(29)11-28)15-8-16(15)13-9-26-21(27-10-13)20-24-3-1-4-25-20/h1,3-4,6-7,9-10,14-16,29H,2,5,8,11H2/t14-,15?,16?/m1/s1.
What are the key properties of (3R)-1-[2,3-difluoro-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]phenyl]pyrrolidin-3-ol?
(3R)-1-[2,3-difluoro-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]phenyl]pyrrolidin-3-ol has a molecular weight of 395.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2,3-difluoro-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 155779894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).