5-(2-fluorophenyl)-N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C25H22FN5 — CID 174765450

IUPAC5-(2-fluorophenyl)-N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc(-c2ccccc2)c(C(C)Nc2ncnc3[nH]cc(-c4ccccc4F)c23)[nH]1
InChIInChI=1S/C25H22FN5/c1-15-12-19(17-8-4-3-5-9-17)23(30-15)16(2)31-25-22-20(13-27-24(22)28-14-29-25)18-10-6-7-11-21(18)26/h3-14,16,30H,1-2H3,(H2,27,28,29,31)
InChIKeyOAEKKCBQYFIIIF-UHFFFAOYSA-N
MW411.48 g/mol
LogP6.24
Rot. Bonds5

About 5-(2-fluorophenyl)-N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-(2-fluorophenyl)-N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 174765450) has the molecular formula C25H22FN5 and a molecular weight of 411.48 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID174765450
Molecular FormulaC25H22FN5
Molecular Weight411.48 g/mol
Exact Mass411.19
IUPAC Name5-(2-fluorophenyl)-N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc(-c2ccccc2)c(C(C)Nc2ncnc3[nH]cc(-c4ccccc4F)c23)[nH]1
InChIInChI=1S/C25H22FN5/c1-15-12-19(17-8-4-3-5-9-17)23(30-15)16(2)31-25-22-20(13-27-24(22)28-14-29-25)18-10-6-7-11-21(18)26/h3-14,16,30H,1-2H3,(H2,27,28,29,31)
InChIKeyOAEKKCBQYFIIIF-UHFFFAOYSA-N
XLogP6.24
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.48
LogP ≤ 56.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(2-fluorophenyl)-N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine 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

2,2-dimethyl-3-[3-[4-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazol-1-yl]propan-1-ol
CID 174765120
3-[3-[4-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazol-1-yl]phenol
CID 175291794
N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-5-[1-(2-morpholin-2-ylethyl)pyrazol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174765459
3-[[4-amino-6-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethylamino]pyrimidin-5-yl]methyl]phenol
CID 174765081
(2S)-2-[1-[[5-(2-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenyl-2H-pyrrolo[2,3-d]pyrimidin-4-one
CID 90102502
N-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10614457
N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155187568
4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 11499595
3-[(1S)-1-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]-8-methyl-2-phenylisoquinolin-1-one;sulfane
CID 162094545
3-[(1S)-1-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one
CID 66615533
3-[(1S)-1-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]-8-methyl-2-phenylisoquinolin-1-one
CID 118165975
3-chloro-7-[(1S)-1-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]-6-phenylimidazo[1,2-c]pyrimidin-5-one
CID 90064275

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(2-fluorophenyl)-N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 174765450) is 5-(2-fluorophenyl)-N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(2-fluorophenyl)-N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc(-c2ccccc2)c(C(C)Nc2ncnc3[nH]cc(-c4ccccc4F)c23)[nH]1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OAEKKCBQYFIIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5/c1-15-12-19(17-8-4-3-5-9-17)23(30-15)16(2)31-25-22-20(13-27-24(22)28-14-29-25)18-10-6-7-11-21(18)26/h3-14,16,30H,1-2H3,(H2,27,28,29,31).
What are the key properties of 5-(2-fluorophenyl)-N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-(2-fluorophenyl)-N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 411.48 g/mol, XLogP of 6.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[1-(5-methyl-3-phenyl-1H-pyrrol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 174765450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).