2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazin-2-yl]pyrazine

C22H24N10 — CID 24948870

IUPAC2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazin-2-yl]pyrazine
SMILESc1nc(-c2cnc([C@@H]3CCCN3)[nH]2)cnc1-c1cnc(-c2cnc([C@@H]3CCCN3)[nH]2)cn1
InChIInChI=1S/C22H24N10/c1-3-13(23-5-1)21-29-11-19(31-21)17-9-25-15(7-27-17)16-8-28-18(10-26-16)20-12-30-22(32-20)14-4-2-6-24-14/h7-14,23-24H,1-6H2,(H,29,31)(H,30,32)/t13-,14-/m0/s1
InChIKeyLKCQENJBENEOCQ-KBPBESRZSA-N
MW428.50 g/mol
LogP2.56
Rot. Bonds5

About 2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazin-2-yl]pyrazine

2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazin-2-yl]pyrazine (PubChem CID 24948870) has the molecular formula C22H24N10 and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazin-2-yl]pyrazine.

Molecular Properties

Compound Name2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazin-2-yl]pyrazine
PubChem CID24948870
Molecular FormulaC22H24N10
Molecular Weight428.50 g/mol
Exact Mass428.22
IUPAC Name2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazin-2-yl]pyrazine
SMILESc1nc(-c2cnc([C@@H]3CCCN3)[nH]2)cnc1-c1cnc(-c2cnc([C@@H]3CCCN3)[nH]2)cn1
InChIInChI=1S/C22H24N10/c1-3-13(23-5-1)21-29-11-19(31-21)17-9-25-15(7-27-17)16-8-28-18(10-26-16)20-12-30-22(32-20)14-4-2-6-24-14/h7-14,23-24H,1-6H2,(H,29,31)(H,30,32)/t13-,14-/m0/s1
InChIKeyLKCQENJBENEOCQ-KBPBESRZSA-N
XLogP2.56
TPSA132.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazin-2-yl]pyrazine?
The IUPAC name of 2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazin-2-yl]pyrazine (CID 24948870) is 2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazin-2-yl]pyrazine.
What is the SMILES notation for 2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazin-2-yl]pyrazine?
The canonical SMILES for 2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazin-2-yl]pyrazine is c1nc(-c2cnc([C@@H]3CCCN3)[nH]2)cnc1-c1cnc(-c2cnc([C@@H]3CCCN3)[nH]2)cn1.
What is the InChIKey of 2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazin-2-yl]pyrazine?
The InChIKey is LKCQENJBENEOCQ-KBPBESRZSA-N. The full InChI is InChI=1S/C22H24N10/c1-3-13(23-5-1)21-29-11-19(31-21)17-9-25-15(7-27-17)16-8-28-18(10-26-16)20-12-30-22(32-20)14-4-2-6-24-14/h7-14,23-24H,1-6H2,(H,29,31)(H,30,32)/t13-,14-/m0/s1.
What are the key properties of 2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazin-2-yl]pyrazine?
2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazin-2-yl]pyrazine has a molecular weight of 428.50 g/mol, XLogP of 2.56, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazin-2-yl]pyrazine is sourced from PubChem (CID 24948870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).