3-[3-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-thiophen-2-ylpyrrol-2-yl]-1H-indazole

C25H17N7OS — CID 141287433

IUPAC3-[3-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-thiophen-2-ylpyrrol-2-yl]-1H-indazole
SMILESc1coc(-c2c(-c3cccs3)c(-c3ccn[nH]3)n(-c3ncc[nH]3)c2-c2n[nH]c3ccccc23)c1
InChIInChI=1S/C25H17N7OS/c1-2-6-16-15(5-1)22(31-30-16)24-20(18-7-3-13-33-18)21(19-8-4-14-34-19)23(17-9-10-28-29-17)32(24)25-26-11-12-27-25/h1-14H,(H,26,27)(H,28,29)(H,30,31)
InChIKeyJEGDAXDPCKDTCL-UHFFFAOYSA-N
MW463.53 g/mol
LogP6.12
Rot. Bonds5

About 3-[3-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-thiophen-2-ylpyrrol-2-yl]-1H-indazole

3-[3-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-thiophen-2-ylpyrrol-2-yl]-1H-indazole (PubChem CID 141287433) has the molecular formula C25H17N7OS and a molecular weight of 463.53 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-thiophen-2-ylpyrrol-2-yl]-1H-indazole.

Molecular Properties

Compound Name3-[3-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-thiophen-2-ylpyrrol-2-yl]-1H-indazole
PubChem CID141287433
Molecular FormulaC25H17N7OS
Molecular Weight463.53 g/mol
Exact Mass463.12
IUPAC Name3-[3-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-thiophen-2-ylpyrrol-2-yl]-1H-indazole
SMILESc1coc(-c2c(-c3cccs3)c(-c3ccn[nH]3)n(-c3ncc[nH]3)c2-c2n[nH]c3ccccc23)c1
InChIInChI=1S/C25H17N7OS/c1-2-6-16-15(5-1)22(31-30-16)24-20(18-7-3-13-33-18)21(19-8-4-14-34-19)23(17-9-10-28-29-17)32(24)25-26-11-12-27-25/h1-14H,(H,26,27)(H,28,29)(H,30,31)
InChIKeyJEGDAXDPCKDTCL-UHFFFAOYSA-N
XLogP6.12
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 56.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 157634317
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(5-methyl-1H-imidazol-3-ium-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 159968877
2-[[5,6-bis(furan-3-yl)-1,2,4-triazin-3-yl]sulfanyl]-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 6501391
1H-benzimidazole;1-benzofuran;1-benzothiophene;1H-indazole;1H-indole
CID 67067518
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
1-benzofuran;1-benzothiophene;1H-indazole;7H-purine;quinoline
CID 68641188
2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole
CID 91088625
N-(3-thiophen-3-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134190049
4-[2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-1H-imidazol-5-yl]-2H-triazole
CID 136655709
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136936908
4-(furan-3-yl)-2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936915
4-(furan-3-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936919

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-thiophen-2-ylpyrrol-2-yl]-1H-indazole?
The IUPAC name of 3-[3-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-thiophen-2-ylpyrrol-2-yl]-1H-indazole (CID 141287433) is 3-[3-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-thiophen-2-ylpyrrol-2-yl]-1H-indazole.
What is the SMILES notation for 3-[3-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-thiophen-2-ylpyrrol-2-yl]-1H-indazole?
The canonical SMILES for 3-[3-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-thiophen-2-ylpyrrol-2-yl]-1H-indazole is c1coc(-c2c(-c3cccs3)c(-c3ccn[nH]3)n(-c3ncc[nH]3)c2-c2n[nH]c3ccccc23)c1.
What is the InChIKey of 3-[3-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-thiophen-2-ylpyrrol-2-yl]-1H-indazole?
The InChIKey is JEGDAXDPCKDTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N7OS/c1-2-6-16-15(5-1)22(31-30-16)24-20(18-7-3-13-33-18)21(19-8-4-14-34-19)23(17-9-10-28-29-17)32(24)25-26-11-12-27-25/h1-14H,(H,26,27)(H,28,29)(H,30,31).
What are the key properties of 3-[3-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-thiophen-2-ylpyrrol-2-yl]-1H-indazole?
3-[3-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-thiophen-2-ylpyrrol-2-yl]-1H-indazole has a molecular weight of 463.53 g/mol, XLogP of 6.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-thiophen-2-ylpyrrol-2-yl]-1H-indazole is sourced from PubChem (CID 141287433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).