2-[4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazine

C23H25N7 — CID 59481316

IUPAC2-[4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazine
SMILESCC(C)c1ncc(-c2ccc(-c3cnc(-c4cnc([C@@H]5CCCN5)[nH]4)cn3)cc2)[nH]1
InChIInChI=1S/C23H25N7/c1-14(2)22-27-11-19(29-22)16-7-5-15(6-8-16)18-10-26-20(12-25-18)21-13-28-23(30-21)17-4-3-9-24-17/h5-8,10-14,17,24H,3-4,9H2,1-2H3,(H,27,29)(H,28,30)/t17-/m0/s1
InChIKeyZZFLTONMXQCQFT-KRWDZBQOSA-N
MW399.50 g/mol
LogP4.47
Rot. Bonds5

About 2-[4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazine

2-[4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazine (PubChem CID 59481316) has the molecular formula C23H25N7 and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-[4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazine.

Molecular Properties

Compound Name2-[4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazine
PubChem CID59481316
Molecular FormulaC23H25N7
Molecular Weight399.50 g/mol
Exact Mass399.22
IUPAC Name2-[4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazine
SMILESCC(C)c1ncc(-c2ccc(-c3cnc(-c4cnc([C@@H]5CCCN5)[nH]4)cn3)cc2)[nH]1
InChIInChI=1S/C23H25N7/c1-14(2)22-27-11-19(29-22)16-7-5-15(6-8-16)18-10-26-20(12-25-18)21-13-28-23(30-21)17-4-3-9-24-17/h5-8,10-14,17,24H,3-4,9H2,1-2H3,(H,27,29)(H,28,30)/t17-/m0/s1
InChIKeyZZFLTONMXQCQFT-KRWDZBQOSA-N
XLogP4.47
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyridine
CID 24950799
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651056
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
(1S)-N-methyl-1-[5-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]ethanamine
CID 46917630
4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
CID 43650678
5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 43650691
tert-butyl N-[1-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]carbamate
CID 173480498
5-fluoro-2-(2-piperidin-2-yl-1H-imidazol-5-yl)pyridine
CID 83124993
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651125
2-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]azepane
CID 83124606
2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
CID 67003843
CID 144634079
CID 144634079

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazine?
The IUPAC name of 2-[4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazine (CID 59481316) is 2-[4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazine.
What is the SMILES notation for 2-[4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazine?
The canonical SMILES for 2-[4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazine is CC(C)c1ncc(-c2ccc(-c3cnc(-c4cnc([C@@H]5CCCN5)[nH]4)cn3)cc2)[nH]1.
What is the InChIKey of 2-[4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazine?
The InChIKey is ZZFLTONMXQCQFT-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H25N7/c1-14(2)22-27-11-19(29-22)16-7-5-15(6-8-16)18-10-26-20(12-25-18)21-13-28-23(30-21)17-4-3-9-24-17/h5-8,10-14,17,24H,3-4,9H2,1-2H3,(H,27,29)(H,28,30)/t17-/m0/s1.
What are the key properties of 2-[4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazine?
2-[4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazine has a molecular weight of 399.50 g/mol, XLogP of 4.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazine is sourced from PubChem (CID 59481316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).