1-(1H-imidazol-2-yl)-5-(3-methyl-2-pyridinyl)-4-(3-methyl-1H-pyrrol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-ylpyrazine

C26H23N9 — CID 54559290

IUPAC1-(1H-imidazol-2-yl)-5-(3-methyl-2-pyridinyl)-4-(3-methyl-1H-pyrrol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-ylpyrazine
SMILESCc1cccnc1C1=CN(c2ncc[nH]2)C(c2ccn[nH]2)=C(c2ccccn2)N1c1[nH]ccc1C
InChIInChI=1S/C26H23N9/c1-17-6-5-11-28-22(17)21-16-34(26-30-14-15-31-26)23(20-9-13-32-33-20)24(19-7-3-4-10-27-19)35(21)25-18(2)8-12-29-25/h3-16,29H,1-2H3,(H,30,31)(H,32,33)
InChIKeyUGCIGGKOBRMJBY-UHFFFAOYSA-N
MW461.53 g/mol
LogP4.72
Rot. Bonds5

About 1-(1H-imidazol-2-yl)-5-(3-methyl-2-pyridinyl)-4-(3-methyl-1H-pyrrol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-ylpyrazine

1-(1H-imidazol-2-yl)-5-(3-methyl-2-pyridinyl)-4-(3-methyl-1H-pyrrol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-ylpyrazine (PubChem CID 54559290) has the molecular formula C26H23N9 and a molecular weight of 461.53 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-5-(3-methyl-2-pyridinyl)-4-(3-methyl-1H-pyrrol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-ylpyrazine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-5-(3-methyl-2-pyridinyl)-4-(3-methyl-1H-pyrrol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-ylpyrazine
PubChem CID54559290
Molecular FormulaC26H23N9
Molecular Weight461.53 g/mol
Exact Mass461.21
IUPAC Name1-(1H-imidazol-2-yl)-5-(3-methyl-2-pyridinyl)-4-(3-methyl-1H-pyrrol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-ylpyrazine
SMILESCc1cccnc1C1=CN(c2ncc[nH]2)C(c2ccn[nH]2)=C(c2ccccn2)N1c1[nH]ccc1C
InChIInChI=1S/C26H23N9/c1-17-6-5-11-28-22(17)21-16-34(26-30-14-15-31-26)23(20-9-13-32-33-20)24(19-7-3-4-10-27-19)35(21)25-18(2)8-12-29-25/h3-16,29H,1-2H3,(H,30,31)(H,32,33)
InChIKeyUGCIGGKOBRMJBY-UHFFFAOYSA-N
XLogP4.72
TPSA105.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-5-(3-methyl-2-pyridinyl)-4-(3-methyl-1H-pyrrol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-ylpyrazine?
The IUPAC name of 1-(1H-imidazol-2-yl)-5-(3-methyl-2-pyridinyl)-4-(3-methyl-1H-pyrrol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-ylpyrazine (CID 54559290) is 1-(1H-imidazol-2-yl)-5-(3-methyl-2-pyridinyl)-4-(3-methyl-1H-pyrrol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-ylpyrazine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-5-(3-methyl-2-pyridinyl)-4-(3-methyl-1H-pyrrol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-ylpyrazine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-5-(3-methyl-2-pyridinyl)-4-(3-methyl-1H-pyrrol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-ylpyrazine is Cc1cccnc1C1=CN(c2ncc[nH]2)C(c2ccn[nH]2)=C(c2ccccn2)N1c1[nH]ccc1C.
What is the InChIKey of 1-(1H-imidazol-2-yl)-5-(3-methyl-2-pyridinyl)-4-(3-methyl-1H-pyrrol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-ylpyrazine?
The InChIKey is UGCIGGKOBRMJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N9/c1-17-6-5-11-28-22(17)21-16-34(26-30-14-15-31-26)23(20-9-13-32-33-20)24(19-7-3-4-10-27-19)35(21)25-18(2)8-12-29-25/h3-16,29H,1-2H3,(H,30,31)(H,32,33).
What are the key properties of 1-(1H-imidazol-2-yl)-5-(3-methyl-2-pyridinyl)-4-(3-methyl-1H-pyrrol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-ylpyrazine?
1-(1H-imidazol-2-yl)-5-(3-methyl-2-pyridinyl)-4-(3-methyl-1H-pyrrol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-ylpyrazine has a molecular weight of 461.53 g/mol, XLogP of 4.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-5-(3-methyl-2-pyridinyl)-4-(3-methyl-1H-pyrrol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-ylpyrazine is sourced from PubChem (CID 54559290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).