2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-3-yl-2-pyridin-4-yl-3H-furan-2-yl]-1H-indole

C28H21N7O — CID 140974050

IUPAC2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-3-yl-2-pyridin-4-yl-3H-furan-2-yl]-1H-indole
SMILESc1cncc(C2C(c3ncc[nH]3)=C(c3ccn[nH]3)OC2(c2ccncc2)c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C28H21N7O/c1-2-6-21-18(4-1)16-23(34-21)28(20-7-11-29-12-8-20)25(19-5-3-10-30-17-19)24(27-31-14-15-32-27)26(36-28)22-9-13-33-35-22/h1-17,25,34H,(H,31,32)(H,33,35)
InChIKeyYWSWVCVUHXQJDD-UHFFFAOYSA-N
MW471.52 g/mol
LogP5.03
Rot. Bonds5

About 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-3-yl-2-pyridin-4-yl-3H-furan-2-yl]-1H-indole

2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-3-yl-2-pyridin-4-yl-3H-furan-2-yl]-1H-indole (PubChem CID 140974050) has the molecular formula C28H21N7O and a molecular weight of 471.52 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-3-yl-2-pyridin-4-yl-3H-furan-2-yl]-1H-indole.

Molecular Properties

Compound Name2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-3-yl-2-pyridin-4-yl-3H-furan-2-yl]-1H-indole
PubChem CID140974050
Molecular FormulaC28H21N7O
Molecular Weight471.52 g/mol
Exact Mass471.18
IUPAC Name2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-3-yl-2-pyridin-4-yl-3H-furan-2-yl]-1H-indole
SMILESc1cncc(C2C(c3ncc[nH]3)=C(c3ccn[nH]3)OC2(c2ccncc2)c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C28H21N7O/c1-2-6-21-18(4-1)16-23(34-21)28(20-7-11-29-12-8-20)25(19-5-3-10-30-17-19)24(27-31-14-15-32-27)26(36-28)22-9-13-33-35-22/h1-17,25,34H,(H,31,32)(H,33,35)
InChIKeyYWSWVCVUHXQJDD-UHFFFAOYSA-N
XLogP5.03
TPSA108.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-3-yl-2-pyridin-4-yl-3H-furan-2-yl]-1H-indole with MolForge

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Related Compounds

N-(1H-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 92132733
2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,6-bis(trideuteriomethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760083
N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 127027694
(5-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)-N-methylmethanamine
CID 135497791
N-((5-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)-4-methylpyridin-3-yl)methyl)ethanamine
CID 135497794
3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-5-(pyridin-4-yl)-1H-pyrazolo[3,4-b]pyridine
CID 135497800
N-((5-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)propan-1-amine
CID 135497814
3-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline
CID 135497878
3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-5-(pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridine
CID 135497879
3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine
CID 135497881
3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-5-(pyrimidin-5-yl)-1H-pyrazolo[3,4-b]pyridine
CID 136118034
(5-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)-N,N-dimethylmethanamine
CID 136118035

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-3-yl-2-pyridin-4-yl-3H-furan-2-yl]-1H-indole?
The IUPAC name of 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-3-yl-2-pyridin-4-yl-3H-furan-2-yl]-1H-indole (CID 140974050) is 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-3-yl-2-pyridin-4-yl-3H-furan-2-yl]-1H-indole.
What is the SMILES notation for 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-3-yl-2-pyridin-4-yl-3H-furan-2-yl]-1H-indole?
The canonical SMILES for 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-3-yl-2-pyridin-4-yl-3H-furan-2-yl]-1H-indole is c1cncc(C2C(c3ncc[nH]3)=C(c3ccn[nH]3)OC2(c2ccncc2)c2cc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-3-yl-2-pyridin-4-yl-3H-furan-2-yl]-1H-indole?
The InChIKey is YWSWVCVUHXQJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N7O/c1-2-6-21-18(4-1)16-23(34-21)28(20-7-11-29-12-8-20)25(19-5-3-10-30-17-19)24(27-31-14-15-32-27)26(36-28)22-9-13-33-35-22/h1-17,25,34H,(H,31,32)(H,33,35).
What are the key properties of 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-3-yl-2-pyridin-4-yl-3H-furan-2-yl]-1H-indole?
2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-3-yl-2-pyridin-4-yl-3H-furan-2-yl]-1H-indole has a molecular weight of 471.52 g/mol, XLogP of 5.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-3-yl-2-pyridin-4-yl-3H-furan-2-yl]-1H-indole is sourced from PubChem (CID 140974050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).