2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)-2H-pyridin-4-yl]pyrazine

C27H21N9O2 — CID 141196733

IUPAC2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)-2H-pyridin-4-yl]pyrazine
SMILESC1=COC(C2=C(c3cnccn3)C(c3ccn[nH]3)=C(c3ccc[nH]3)N(c3ccco3)C2c2cn[nH]n2)C=C1
InChIInChI=1S/C27H21N9O2/c1-2-13-37-21(6-1)25-23(19-15-28-11-12-30-19)24(17-8-10-31-33-17)26(18-5-3-9-29-18)36(22-7-4-14-38-22)27(25)20-16-32-35-34-20/h1-16,21,27,29H,(H,31,33)(H,32,34,35)
InChIKeyXTJACJCYTVYWPQ-UHFFFAOYSA-N
MW503.53 g/mol
LogP4.29
Rot. Bonds6

About 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)-2H-pyridin-4-yl]pyrazine

2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)-2H-pyridin-4-yl]pyrazine (PubChem CID 141196733) has the molecular formula C27H21N9O2 and a molecular weight of 503.53 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)-2H-pyridin-4-yl]pyrazine.

Molecular Properties

Compound Name2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)-2H-pyridin-4-yl]pyrazine
PubChem CID141196733
Molecular FormulaC27H21N9O2
Molecular Weight503.53 g/mol
Exact Mass503.18
IUPAC Name2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)-2H-pyridin-4-yl]pyrazine
SMILESC1=COC(C2=C(c3cnccn3)C(c3ccn[nH]3)=C(c3ccc[nH]3)N(c3ccco3)C2c2cn[nH]n2)C=C1
InChIInChI=1S/C27H21N9O2/c1-2-13-37-21(6-1)25-23(19-15-28-11-12-30-19)24(17-8-10-31-33-17)26(18-5-3-9-29-18)36(22-7-4-14-38-22)27(25)20-16-32-35-34-20/h1-16,21,27,29H,(H,31,33)(H,32,34,35)
InChIKeyXTJACJCYTVYWPQ-UHFFFAOYSA-N
XLogP4.29
TPSA137.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.53
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)-2H-pyridin-4-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

1-(furan-2-yl)-4-(oxan-2-yl)-2-(oxolan-2-yl)-3-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)imidazole
CID 141056958
2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2-(2H-triazol-4-yl)-4-pyridinyl]pyrazine
CID 141196716
benzene;furan;morpholine;1,3-oxazole;1H-pyrazole;pyridine;2H-triazole
CID 161428777
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880392
[2-(oxolan-3-yloxy)-4-pyridinyl]-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 136537780
2-(oxolan-3-yloxy)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 166211395

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)-2H-pyridin-4-yl]pyrazine?
The IUPAC name of 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)-2H-pyridin-4-yl]pyrazine (CID 141196733) is 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)-2H-pyridin-4-yl]pyrazine.
What is the SMILES notation for 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)-2H-pyridin-4-yl]pyrazine?
The canonical SMILES for 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)-2H-pyridin-4-yl]pyrazine is C1=COC(C2=C(c3cnccn3)C(c3ccn[nH]3)=C(c3ccc[nH]3)N(c3ccco3)C2c2cn[nH]n2)C=C1.
What is the InChIKey of 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)-2H-pyridin-4-yl]pyrazine?
The InChIKey is XTJACJCYTVYWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N9O2/c1-2-13-37-21(6-1)25-23(19-15-28-11-12-30-19)24(17-8-10-31-33-17)26(18-5-3-9-29-18)36(22-7-4-14-38-22)27(25)20-16-32-35-34-20/h1-16,21,27,29H,(H,31,33)(H,32,34,35).
What are the key properties of 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)-2H-pyridin-4-yl]pyrazine?
2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)-2H-pyridin-4-yl]pyrazine has a molecular weight of 503.53 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)-2H-pyridin-4-yl]pyrazine is sourced from PubChem (CID 141196733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).