1,3-bis(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2,3,4-tris(1H-pyrrol-2-yl)pyrazine

C25H23N11 — CID 141341005

IUPAC1,3-bis(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2,3,4-tris(1H-pyrrol-2-yl)pyrazine
SMILESC1=CN(c2ccc[nH]2)C(c2ccc[nH]2)(c2ncc[nH]2)C(c2ccc[nH]2)(c2ccn[nH]2)N1c1ncc[nH]1
InChIInChI=1S/C25H23N11/c1-4-18(26-8-1)24(20-7-11-33-34-20)25(19-5-2-9-27-19,22-29-12-13-30-22)35(21-6-3-10-28-21)16-17-36(24)23-31-14-15-32-23/h1-17,26-28H,(H,29,30)(H,31,32)(H,33,34)
InChIKeyHFMLUSSQBQTCEU-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.53
Rot. Bonds6

About 1,3-bis(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2,3,4-tris(1H-pyrrol-2-yl)pyrazine

1,3-bis(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2,3,4-tris(1H-pyrrol-2-yl)pyrazine (PubChem CID 141341005) has the molecular formula C25H23N11 and a molecular weight of 477.54 g/mol. Its IUPAC name is 1,3-bis(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2,3,4-tris(1H-pyrrol-2-yl)pyrazine.

Molecular Properties

Compound Name1,3-bis(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2,3,4-tris(1H-pyrrol-2-yl)pyrazine
PubChem CID141341005
Molecular FormulaC25H23N11
Molecular Weight477.54 g/mol
Exact Mass477.21
IUPAC Name1,3-bis(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2,3,4-tris(1H-pyrrol-2-yl)pyrazine
SMILESC1=CN(c2ccc[nH]2)C(c2ccc[nH]2)(c2ncc[nH]2)C(c2ccc[nH]2)(c2ccn[nH]2)N1c1ncc[nH]1
InChIInChI=1S/C25H23N11/c1-4-18(26-8-1)24(20-7-11-33-34-20)25(19-5-2-9-27-19,22-29-12-13-30-22)35(21-6-3-10-28-21)16-17-36(24)23-31-14-15-32-23/h1-17,26-28H,(H,29,30)(H,31,32)(H,33,34)
InChIKeyHFMLUSSQBQTCEU-UHFFFAOYSA-N
XLogP3.53
TPSA139.89 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.54
LogP ≤ 53.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-bis(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indole
CID 71459516
N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1H-pyrazolo[3,4-c]pyridin-5-amine
CID 89736646
3-(1H-indol-3-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine
CID 136016456
2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-(1H-pyrazol-5-yl)pyrazine
CID 165414963
2-imidazol-1-yl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 56683923
N-[5-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155678861
6-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 73265219
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 59757801
3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 136491500
5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137038113
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137038821
N-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137041463

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2,3,4-tris(1H-pyrrol-2-yl)pyrazine?
The IUPAC name of 1,3-bis(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2,3,4-tris(1H-pyrrol-2-yl)pyrazine (CID 141341005) is 1,3-bis(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2,3,4-tris(1H-pyrrol-2-yl)pyrazine.
What is the SMILES notation for 1,3-bis(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2,3,4-tris(1H-pyrrol-2-yl)pyrazine?
The canonical SMILES for 1,3-bis(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2,3,4-tris(1H-pyrrol-2-yl)pyrazine is C1=CN(c2ccc[nH]2)C(c2ccc[nH]2)(c2ncc[nH]2)C(c2ccc[nH]2)(c2ccn[nH]2)N1c1ncc[nH]1.
What is the InChIKey of 1,3-bis(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2,3,4-tris(1H-pyrrol-2-yl)pyrazine?
The InChIKey is HFMLUSSQBQTCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N11/c1-4-18(26-8-1)24(20-7-11-33-34-20)25(19-5-2-9-27-19,22-29-12-13-30-22)35(21-6-3-10-28-21)16-17-36(24)23-31-14-15-32-23/h1-17,26-28H,(H,29,30)(H,31,32)(H,33,34).
What are the key properties of 1,3-bis(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2,3,4-tris(1H-pyrrol-2-yl)pyrazine?
1,3-bis(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2,3,4-tris(1H-pyrrol-2-yl)pyrazine has a molecular weight of 477.54 g/mol, XLogP of 3.53, 6 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2,3,4-tris(1H-pyrrol-2-yl)pyrazine is sourced from PubChem (CID 141341005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).