N-(2-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide

C16H15FN6O — CID 67314836

IUPACN-(2-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCCN1c1ncnc2nc[nH]c12
InChIInChI=1S/C16H15FN6O/c17-10-4-1-2-5-11(10)22-16(24)12-6-3-7-23(12)15-13-14(19-8-18-13)20-9-21-15/h1-2,4-5,8-9,12H,3,6-7H2,(H,22,24)(H,18,19,20,21)
InChIKeyTVSUPBYCFSDJIU-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.10
Rot. Bonds3

About N-(2-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide

N-(2-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide (PubChem CID 67314836) has the molecular formula C16H15FN6O and a molecular weight of 326.33 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide
PubChem CID67314836
Molecular FormulaC16H15FN6O
Molecular Weight326.33 g/mol
Exact Mass326.13
IUPAC NameN-(2-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCCN1c1ncnc2nc[nH]c12
InChIInChI=1S/C16H15FN6O/c17-10-4-1-2-5-11(10)22-16(24)12-6-3-7-23(12)15-13-14(19-8-18-13)20-9-21-15/h1-2,4-5,8-9,12H,3,6-7H2,(H,22,24)(H,18,19,20,21)
InChIKeyTVSUPBYCFSDJIU-UHFFFAOYSA-N
XLogP2.10
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(furan-2-ylmethyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide
CID 99636793
N-(2-fluorophenyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide
CID 133417199
N-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 42930849
6-(2-phenylpyrrolidin-1-yl)-7H-purine
CID 172882054
2-chloro-N-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]aniline
CID 67314434
(3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40921094
(2S)-N-(2-fluorophenyl)-2-(7H-purin-6-ylsulfanyl)propanamide
CID 40900661
1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 46756299
(2S)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605159
(2R)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605160
(2S)-1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 7215393
3-cyclohexyl-5-fluoro-2-[(2S)-1-(7H-purin-6-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 155546330

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide (CID 67314836) is N-(2-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide is O=C(Nc1ccccc1F)C1CCCN1c1ncnc2nc[nH]c12.
What is the InChIKey of N-(2-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide?
The InChIKey is TVSUPBYCFSDJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O/c17-10-4-1-2-5-11(10)22-16(24)12-6-3-7-23(12)15-13-14(19-8-18-13)20-9-21-15/h1-2,4-5,8-9,12H,3,6-7H2,(H,22,24)(H,18,19,20,21).
What are the key properties of N-(2-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide?
N-(2-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 67314836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).