4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

C16H15FN4 — CID 70719126

IUPAC4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESFc1ccccc1C1CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C16H15FN4/c17-14-4-2-1-3-12(14)11-6-8-21(9-11)16-13-5-7-18-15(13)19-10-20-16/h1-5,7,10-11H,6,8-9H2,(H,18,19,20)
InChIKeyPWUAMXZHVRMERA-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.09
Rot. Bonds2

About 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 70719126) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID70719126
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESFc1ccccc1C1CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C16H15FN4/c17-14-4-2-1-3-12(14)11-6-8-21(9-11)16-13-5-7-18-15(13)19-10-20-16/h1-5,7,10-11H,6,8-9H2,(H,18,19,20)
InChIKeyPWUAMXZHVRMERA-UHFFFAOYSA-N
XLogP3.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-[2-(trifluoromethyl)phenyl]morpholine
CID 138042922
4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 171446154
4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167838700
1-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]azetidin-3-ol
CID 167818943
2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-ol
CID 166235530
molecular hydrogen;1-phenyl-3-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]phenyl]urea
CID 160659787
4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 131901668
4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 141194031
N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
1-(2-fluoroanilino)-3-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propan-2-one
CID 160559795
2-[1-[(2-fluorophenyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol
CID 70717035
4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine
CID 72869002

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 70719126) is 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is Fc1ccccc1C1CCN(c2ncnc3[nH]ccc23)C1.
What is the InChIKey of 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is PWUAMXZHVRMERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c17-14-4-2-1-3-12(14)11-6-8-21(9-11)16-13-5-7-18-15(13)19-10-20-16/h1-5,7,10-11H,6,8-9H2,(H,18,19,20).
What are the key properties of 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 282.32 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 70719126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).