2-[1-ethyl-5-[5-(3-methyl-4-pyridinyl)-1H-pyrrol-2-yl]pyrazol-3-yl]pyrazine

C19H18N6 — CID 136502822

IUPAC2-[1-ethyl-5-[5-(3-methyl-4-pyridinyl)-1H-pyrrol-2-yl]pyrazol-3-yl]pyrazine
SMILESCCn1nc(-c2cnccn2)cc1-c1ccc(-c2ccncc2C)[nH]1
InChIInChI=1S/C19H18N6/c1-3-25-19(10-17(24-25)18-12-21-8-9-22-18)16-5-4-15(23-16)14-6-7-20-11-13(14)2/h4-12,23H,3H2,1-2H3
InChIKeyNMIYIGXAKWIGCN-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.73
Rot. Bonds4

About 2-[1-ethyl-5-[5-(3-methyl-4-pyridinyl)-1H-pyrrol-2-yl]pyrazol-3-yl]pyrazine

2-[1-ethyl-5-[5-(3-methyl-4-pyridinyl)-1H-pyrrol-2-yl]pyrazol-3-yl]pyrazine (PubChem CID 136502822) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-[1-ethyl-5-[5-(3-methyl-4-pyridinyl)-1H-pyrrol-2-yl]pyrazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[1-ethyl-5-[5-(3-methyl-4-pyridinyl)-1H-pyrrol-2-yl]pyrazol-3-yl]pyrazine
PubChem CID136502822
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name2-[1-ethyl-5-[5-(3-methyl-4-pyridinyl)-1H-pyrrol-2-yl]pyrazol-3-yl]pyrazine
SMILESCCn1nc(-c2cnccn2)cc1-c1ccc(-c2ccncc2C)[nH]1
InChIInChI=1S/C19H18N6/c1-3-25-19(10-17(24-25)18-12-21-8-9-22-18)16-5-4-15(23-16)14-6-7-20-11-13(14)2/h4-12,23H,3H2,1-2H3
InChIKeyNMIYIGXAKWIGCN-UHFFFAOYSA-N
XLogP3.73
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-ethyl-5-[5-(3-methyl-4-pyridinyl)-1H-pyrrol-2-yl]pyrazol-3-yl]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-5-[5-(3-methyl-4-pyridinyl)-1H-pyrrol-2-yl]pyrazol-3-yl]pyrazine?
The IUPAC name of 2-[1-ethyl-5-[5-(3-methyl-4-pyridinyl)-1H-pyrrol-2-yl]pyrazol-3-yl]pyrazine (CID 136502822) is 2-[1-ethyl-5-[5-(3-methyl-4-pyridinyl)-1H-pyrrol-2-yl]pyrazol-3-yl]pyrazine.
What is the SMILES notation for 2-[1-ethyl-5-[5-(3-methyl-4-pyridinyl)-1H-pyrrol-2-yl]pyrazol-3-yl]pyrazine?
The canonical SMILES for 2-[1-ethyl-5-[5-(3-methyl-4-pyridinyl)-1H-pyrrol-2-yl]pyrazol-3-yl]pyrazine is CCn1nc(-c2cnccn2)cc1-c1ccc(-c2ccncc2C)[nH]1.
What is the InChIKey of 2-[1-ethyl-5-[5-(3-methyl-4-pyridinyl)-1H-pyrrol-2-yl]pyrazol-3-yl]pyrazine?
The InChIKey is NMIYIGXAKWIGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-3-25-19(10-17(24-25)18-12-21-8-9-22-18)16-5-4-15(23-16)14-6-7-20-11-13(14)2/h4-12,23H,3H2,1-2H3.
What are the key properties of 2-[1-ethyl-5-[5-(3-methyl-4-pyridinyl)-1H-pyrrol-2-yl]pyrazol-3-yl]pyrazine?
2-[1-ethyl-5-[5-(3-methyl-4-pyridinyl)-1H-pyrrol-2-yl]pyrazol-3-yl]pyrazine has a molecular weight of 330.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-5-[5-(3-methyl-4-pyridinyl)-1H-pyrrol-2-yl]pyrazol-3-yl]pyrazine is sourced from PubChem (CID 136502822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).