7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C25H24FN5O2 — CID 110261700

IUPAC7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc(C2CCCN2C(=O)c2ccccn2)nc2c1CC(=O)N2CCc1ccccc1F
InChIInChI=1S/C25H24FN5O2/c1-16-18-15-22(32)31(14-11-17-7-2-3-8-19(17)26)24(18)29-23(28-16)21-10-6-13-30(21)25(33)20-9-4-5-12-27-20/h2-5,7-9,12,21H,6,10-11,13-15H2,1H3
InChIKeyFANVZWSSAOWQIG-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.43
Rot. Bonds5

About 7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 110261700) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID110261700
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc(C2CCCN2C(=O)c2ccccn2)nc2c1CC(=O)N2CCc1ccccc1F
InChIInChI=1S/C25H24FN5O2/c1-16-18-15-22(32)31(14-11-17-7-2-3-8-19(17)26)24(18)29-23(28-16)21-10-6-13-30(21)25(33)20-9-4-5-12-27-20/h2-5,7-9,12,21H,6,10-11,13-15H2,1H3
InChIKeyFANVZWSSAOWQIG-UHFFFAOYSA-N
XLogP3.43
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 110261700) is 7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1nc(C2CCCN2C(=O)c2ccccn2)nc2c1CC(=O)N2CCc1ccccc1F.
What is the InChIKey of 7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is FANVZWSSAOWQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-16-18-15-22(32)31(14-11-17-7-2-3-8-19(17)26)24(18)29-23(28-16)21-10-6-13-30(21)25(33)20-9-4-5-12-27-20/h2-5,7-9,12,21H,6,10-11,13-15H2,1H3.
What are the key properties of 7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 445.50 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 110261700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).