2-[5-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)imidazol-1-yl]pyrazine

C26H21N11O — CID 141196715

IUPAC2-[5-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)imidazol-1-yl]pyrazine
SMILESC1=COC(C2=C(c3cn[nH]n3)N(c3ccc[nH]3)C(c3ccccn3)(c3ccn[nH]3)N2c2cnccn2)C=C1
InChIInChI=1S/C26H21N11O/c1-3-10-28-20(7-1)26(21-9-12-31-34-21)36(22-8-5-11-29-22)24(18-16-32-35-33-18)25(19-6-2-4-15-38-19)37(26)23-17-27-13-14-30-23/h1-17,19,29H,(H,31,34)(H,32,33,35)
InChIKeyXWBJBXNGTNMYSU-UHFFFAOYSA-N
MW503.53 g/mol
LogP3.11
Rot. Bonds6

About 2-[5-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)imidazol-1-yl]pyrazine

2-[5-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)imidazol-1-yl]pyrazine (PubChem CID 141196715) has the molecular formula C26H21N11O and a molecular weight of 503.53 g/mol. Its IUPAC name is 2-[5-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)imidazol-1-yl]pyrazine.

Molecular Properties

Compound Name2-[5-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)imidazol-1-yl]pyrazine
PubChem CID141196715
Molecular FormulaC26H21N11O
Molecular Weight503.53 g/mol
Exact Mass503.19
IUPAC Name2-[5-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)imidazol-1-yl]pyrazine
SMILESC1=COC(C2=C(c3cn[nH]n3)N(c3ccc[nH]3)C(c3ccccn3)(c3ccn[nH]3)N2c2cnccn2)C=C1
InChIInChI=1S/C26H21N11O/c1-3-10-28-20(7-1)26(21-9-12-31-34-21)36(22-8-5-11-29-22)24(18-16-32-35-33-18)25(19-6-2-4-15-38-19)37(26)23-17-27-13-14-30-23/h1-17,19,29H,(H,31,34)(H,32,33,35)
InChIKeyXWBJBXNGTNMYSU-UHFFFAOYSA-N
XLogP3.11
TPSA140.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.53
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[5-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)imidazol-1-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

Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-9-(1-methylpyrazol-4-yl)-2-morpholin-4-ylpurin-6-amine
CID 168477814
5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253354
(3R)-3-Methyl-4-[1-(propan-2-yl)-3-(1H-pyrazol-3-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]morpholine
CID 150543590
7-(1-lsopropyl-1H-pyrazol-4-yl)-1-methyl-5-((R)-3-methyl-morpholin-4-yl)-3-(1H-pyrazol-3-yl)-1H-pyrazolo[4,3-b]pyridine
CID 153541452
(3R)-3-Methyl-4-[1-methyl-3-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]morpholine
CID 153541522
3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-methylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine
CID 66789836
2-[4-[3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 118214047
4-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-c]pyridin-6-amine
CID 130234627
4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrazol-5-yl)pyrimidin-2-amine
CID 135242322
4-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 136937581
4-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine
CID 136944727
N-(3,5-dimethoxycyclohexa-1,3-dien-1-yl)-N-(1H-imidazol-5-ylmethyl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
CID 138463539

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)imidazol-1-yl]pyrazine?
The IUPAC name of 2-[5-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)imidazol-1-yl]pyrazine (CID 141196715) is 2-[5-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)imidazol-1-yl]pyrazine.
What is the SMILES notation for 2-[5-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)imidazol-1-yl]pyrazine?
The canonical SMILES for 2-[5-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)imidazol-1-yl]pyrazine is C1=COC(C2=C(c3cn[nH]n3)N(c3ccc[nH]3)C(c3ccccn3)(c3ccn[nH]3)N2c2cnccn2)C=C1.
What is the InChIKey of 2-[5-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)imidazol-1-yl]pyrazine?
The InChIKey is XWBJBXNGTNMYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N11O/c1-3-10-28-20(7-1)26(21-9-12-31-34-21)36(22-8-5-11-29-22)24(18-16-32-35-33-18)25(19-6-2-4-15-38-19)37(26)23-17-27-13-14-30-23/h1-17,19,29H,(H,31,34)(H,32,33,35).
What are the key properties of 2-[5-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)imidazol-1-yl]pyrazine?
2-[5-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)imidazol-1-yl]pyrazine has a molecular weight of 503.53 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)imidazol-1-yl]pyrazine is sourced from PubChem (CID 141196715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).