5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-pyrazine

C31H24N10OS — CID 141203736

IUPAC5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-pyrazine
SMILESc1ccc(C2(c3ccc[nH]3)NC(c3cccs3)=C(c3ccco3)N(c3ccn[nH]3)C2(c2ncccn2)c2ncc[nH]2)nc1
InChIInChI=1S/C31H24N10OS/c1-2-12-32-23(9-1)30(24-10-3-13-33-24)31(29-36-17-18-37-29,28-34-14-6-15-35-28)41(25-11-16-38-40-25)27(21-7-4-19-42-21)26(39-30)22-8-5-20-43-22/h1-20,33,39H,(H,36,37)(H,38,40)
InChIKeyKBKWISRFCHDYEW-UHFFFAOYSA-N
MW584.67 g/mol
LogP5.12
Rot. Bonds7

About 5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-pyrazine

5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-pyrazine (PubChem CID 141203736) has the molecular formula C31H24N10OS and a molecular weight of 584.67 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-pyrazine.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-pyrazine
PubChem CID141203736
Molecular FormulaC31H24N10OS
Molecular Weight584.67 g/mol
Exact Mass584.19
IUPAC Name5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-pyrazine
SMILESc1ccc(C2(c3ccc[nH]3)NC(c3cccs3)=C(c3ccco3)N(c3ccn[nH]3)C2(c2ncccn2)c2ncc[nH]2)nc1
InChIInChI=1S/C31H24N10OS/c1-2-12-32-23(9-1)30(24-10-3-13-33-24)31(29-36-17-18-37-29,28-34-14-6-15-35-28)41(25-11-16-38-40-25)27(21-7-4-19-42-21)26(39-30)22-8-5-20-43-22/h1-20,33,39H,(H,36,37)(H,38,40)
InChIKeyKBKWISRFCHDYEW-UHFFFAOYSA-N
XLogP5.12
TPSA140.23 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.67
LogP ≤ 55.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-pyrazine with MolForge

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Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 3435520
N-[(Furan-2-YL)methyl]-1-[2-(thiophen-2-YL)pyrazolo[1,5-A]pyrazin-4-YL]piperidine-4-carboxamide
CID 50797437
3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 16676756
3-{5-[1-(2-furylmethyl)-1H-imidazol-2-yl]-2-thienyl}-1H-pyrazole
CID 56748164
N-(furan-2-ylmethyl)-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 126475834
2-(furan-2-yl)-7-(2-(4-((3-methylbenzo[b]thiophen-2-yl)methyl)piperazin-1-yl)ethyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 25020101
6-(furan-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide;N-thiophen-3-yl-6-(1H-1,2,4-triazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 68408141
[7-[3-(Furan-2-ylmethylamino)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone
CID 69577871
N-(furan-2-ylmethyl)-3-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)aniline
CID 91297961
[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone
CID 126535142
2-[6-[4-[2-[2-[5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-2-pyridinyl]furan-3-yl]-1H-imidazol-4-yl]-1,3,5-triazin-2-yl]-2H-pyran-5-yl]-1,3-thiazole
CID 136655040
4-[2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-1H-imidazol-5-yl]-2H-triazole
CID 136655709

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-pyrazine?
The IUPAC name of 5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-pyrazine (CID 141203736) is 5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-pyrazine.
What is the SMILES notation for 5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-pyrazine?
The canonical SMILES for 5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-pyrazine is c1ccc(C2(c3ccc[nH]3)NC(c3cccs3)=C(c3ccco3)N(c3ccn[nH]3)C2(c2ncccn2)c2ncc[nH]2)nc1.
What is the InChIKey of 5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-pyrazine?
The InChIKey is KBKWISRFCHDYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N10OS/c1-2-12-32-23(9-1)30(24-10-3-13-33-24)31(29-36-17-18-37-29,28-34-14-6-15-35-28)41(25-11-16-38-40-25)27(21-7-4-19-42-21)26(39-30)22-8-5-20-43-22/h1-20,33,39H,(H,36,37)(H,38,40).
What are the key properties of 5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-pyrazine?
5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-pyrazine has a molecular weight of 584.67 g/mol, XLogP of 5.12, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-pyrazine is sourced from PubChem (CID 141203736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).