2-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidine

C24H25FN8 — CID 24950147

IUPAC2-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidine
SMILESFc1cc(-c2ncc(-c3cnc([C@@H]4CCCN4)[nH]3)cn2)ccc1-c1cnc([C@@H]2CCCN2)[nH]1
InChIInChI=1S/C24H25FN8/c25-17-9-14(5-6-16(17)21-13-31-24(33-21)19-4-2-8-27-19)22-28-10-15(11-29-22)20-12-30-23(32-20)18-3-1-7-26-18/h5-6,9-13,18-19,26-27H,1-4,7-8H2,(H,30,32)(H,31,33)/t18-,19-/m0/s1
InChIKeySOKIWEWZFBQWKH-OALUTQOASA-N
MW444.52 g/mol
LogP3.91
Rot. Bonds5

About 2-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidine

2-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidine (PubChem CID 24950147) has the molecular formula C24H25FN8 and a molecular weight of 444.52 g/mol. Its IUPAC name is 2-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidine.

Molecular Properties

Compound Name2-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidine
PubChem CID24950147
Molecular FormulaC24H25FN8
Molecular Weight444.52 g/mol
Exact Mass444.22
IUPAC Name2-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidine
SMILESFc1cc(-c2ncc(-c3cnc([C@@H]4CCCN4)[nH]3)cn2)ccc1-c1cnc([C@@H]2CCCN2)[nH]1
InChIInChI=1S/C24H25FN8/c25-17-9-14(5-6-16(17)21-13-31-24(33-21)19-4-2-8-27-19)22-28-10-15(11-29-22)20-12-30-23(32-20)18-3-1-7-26-18/h5-6,9-13,18-19,26-27H,1-4,7-8H2,(H,30,32)(H,31,33)/t18-,19-/m0/s1
InChIKeySOKIWEWZFBQWKH-OALUTQOASA-N
XLogP3.91
TPSA107.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidine?
The IUPAC name of 2-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidine (CID 24950147) is 2-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidine.
What is the SMILES notation for 2-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidine?
The canonical SMILES for 2-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidine is Fc1cc(-c2ncc(-c3cnc([C@@H]4CCCN4)[nH]3)cn2)ccc1-c1cnc([C@@H]2CCCN2)[nH]1.
What is the InChIKey of 2-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidine?
The InChIKey is SOKIWEWZFBQWKH-OALUTQOASA-N. The full InChI is InChI=1S/C24H25FN8/c25-17-9-14(5-6-16(17)21-13-31-24(33-21)19-4-2-8-27-19)22-28-10-15(11-29-22)20-12-30-23(32-20)18-3-1-7-26-18/h5-6,9-13,18-19,26-27H,1-4,7-8H2,(H,30,32)(H,31,33)/t18-,19-/m0/s1.
What are the key properties of 2-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidine?
2-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidine has a molecular weight of 444.52 g/mol, XLogP of 3.91, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidine is sourced from PubChem (CID 24950147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).