3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole

C29H25N5O2 — CID 137115273

IUPAC3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole
SMILESc1cc(-c2ccoc2)c2cc(-c3n[nH]c4ccc(-c5cncc(OC6CCNCC6)c5)cc34)[nH]c2c1
InChIInChI=1S/C29H25N5O2/c1-2-23(19-8-11-35-17-19)24-14-28(32-26(24)3-1)29-25-13-18(4-5-27(25)33-34-29)20-12-22(16-31-15-20)36-21-6-9-30-10-7-21/h1-5,8,11-17,21,30,32H,6-7,9-10H2,(H,33,34)
InChIKeyCHPQOBSKNVLTGK-UHFFFAOYSA-N
MW475.55 g/mol
LogP6.16
Rot. Bonds5

About 3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole

3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole (PubChem CID 137115273) has the molecular formula C29H25N5O2 and a molecular weight of 475.55 g/mol. Its IUPAC name is 3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole.

Molecular Properties

Compound Name3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole
PubChem CID137115273
Molecular FormulaC29H25N5O2
Molecular Weight475.55 g/mol
Exact Mass475.20
IUPAC Name3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole
SMILESc1cc(-c2ccoc2)c2cc(-c3n[nH]c4ccc(-c5cncc(OC6CCNCC6)c5)cc34)[nH]c2c1
InChIInChI=1S/C29H25N5O2/c1-2-23(19-8-11-35-17-19)24-14-28(32-26(24)3-1)29-25-13-18(4-5-27(25)33-34-29)20-12-22(16-31-15-20)36-21-6-9-30-10-7-21/h1-5,8,11-17,21,30,32H,6-7,9-10H2,(H,33,34)
InChIKeyCHPQOBSKNVLTGK-UHFFFAOYSA-N
XLogP6.16
TPSA91.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazole
CID 137310687
5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
CID 137115415
N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137116045
2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 137111704
N-[3-fluoro-5-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 137310742
1-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137088514
2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 137112020
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazole
CID 137115524
3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137113604
1-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol
CID 137308957
3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137113467
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole
CID 137283108

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole?
The IUPAC name of 3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole (CID 137115273) is 3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole.
What is the SMILES notation for 3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole?
The canonical SMILES for 3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole is c1cc(-c2ccoc2)c2cc(-c3n[nH]c4ccc(-c5cncc(OC6CCNCC6)c5)cc34)[nH]c2c1.
What is the InChIKey of 3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole?
The InChIKey is CHPQOBSKNVLTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O2/c1-2-23(19-8-11-35-17-19)24-14-28(32-26(24)3-1)29-25-13-18(4-5-27(25)33-34-29)20-12-22(16-31-15-20)36-21-6-9-30-10-7-21/h1-5,8,11-17,21,30,32H,6-7,9-10H2,(H,33,34).
What are the key properties of 3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole?
3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole has a molecular weight of 475.55 g/mol, XLogP of 6.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole is sourced from PubChem (CID 137115273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).