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

C24H25FN6O2 — CID 110261743

IUPAC7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc(C2CCCN2C(=O)c2ccnn2C)nc2c1CC(=O)N2CCc1ccccc1F
InChIInChI=1S/C24H25FN6O2/c1-15-17-14-21(32)31(13-10-16-6-3-4-7-18(16)25)23(17)28-22(27-15)19-8-5-12-30(19)24(33)20-9-11-26-29(20)2/h3-4,6-7,9,11,19H,5,8,10,12-14H2,1-2H3
InChIKeyLXMHMRMPSAJWKR-UHFFFAOYSA-N
MW448.50 g/mol
LogP2.77
Rot. Bonds5

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

7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 110261743) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID110261743
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc(C2CCCN2C(=O)c2ccnn2C)nc2c1CC(=O)N2CCc1ccccc1F
InChIInChI=1S/C24H25FN6O2/c1-15-17-14-21(32)31(13-10-16-6-3-4-7-18(16)25)23(17)28-22(27-15)19-8-5-12-30(19)24(33)20-9-11-26-29(20)2/h3-4,6-7,9,11,19H,5,8,10,12-14H2,1-2H3
InChIKeyLXMHMRMPSAJWKR-UHFFFAOYSA-N
XLogP2.77
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-7-[2-(2-fluorophenyl)ethyl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 95832023
7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92631400
7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 125011545
7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[(3S)-1-(2-methylpropanoyl)pyrrolidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 125011544
2-[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]-7-[2-(2-fluorophenyl)ethyl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92631508
2-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-7-[2-(2-fluorophenyl)ethyl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 127249596
2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630384
7-[2-(2-fluorophenyl)ethyl]-2-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 124983532
4-methyl-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92629556
2-[(2R)-1-(2-methoxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92631416
4-methyl-7-(2-phenylethyl)-2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 95840103
4-methyl-7-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 95831954

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(2-methylpyrazole-3-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-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 110261743) is 7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(2-methylpyrazole-3-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-(2-methylpyrazole-3-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-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1nc(C2CCCN2C(=O)c2ccnn2C)nc2c1CC(=O)N2CCc1ccccc1F.
What is the InChIKey of 7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is LXMHMRMPSAJWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-15-17-14-21(32)31(13-10-16-6-3-4-7-18(16)25)23(17)28-22(27-15)19-8-5-12-30(19)24(33)20-9-11-26-29(20)2/h3-4,6-7,9,11,19H,5,8,10,12-14H2,1-2H3.
What are the key properties of 7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 448.50 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 110261743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).