4-(furan-3-yl)-2-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1H-indole

C20H20N4O — CID 137113298

IUPAC4-(furan-3-yl)-2-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1H-indole
SMILESc1cc(-c2ccoc2)c2cc(-c3cc(C4CCNCC4)[nH]n3)[nH]c2c1
InChIInChI=1S/C20H20N4O/c1-2-15(14-6-9-25-12-14)16-10-19(22-17(16)3-1)20-11-18(23-24-20)13-4-7-21-8-5-13/h1-3,6,9-13,21-22H,4-5,7-8H2,(H,23,24)
InChIKeyVXENXAKWGWUGOQ-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.28
Rot. Bonds3

About 4-(furan-3-yl)-2-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1H-indole

4-(furan-3-yl)-2-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1H-indole (PubChem CID 137113298) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-(furan-3-yl)-2-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1H-indole.

Molecular Properties

Compound Name4-(furan-3-yl)-2-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1H-indole
PubChem CID137113298
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4-(furan-3-yl)-2-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1H-indole
SMILESc1cc(-c2ccoc2)c2cc(-c3cc(C4CCNCC4)[nH]n3)[nH]c2c1
InChIInChI=1S/C20H20N4O/c1-2-15(14-6-9-25-12-14)16-10-19(22-17(16)3-1)20-11-18(23-24-20)13-4-7-21-8-5-13/h1-3,6,9-13,21-22H,4-5,7-8H2,(H,23,24)
InChIKeyVXENXAKWGWUGOQ-UHFFFAOYSA-N
XLogP4.28
TPSA69.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole
CID 137115273
3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine
CID 137115850
3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137115043
3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine
CID 137111429
N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137116045
4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 66490831
4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridin-2-amine
CID 177382339
5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 137113192
5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
CID 137115415
2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]-1H-indole;hydrochloride
CID 141269036
1-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137088514
5-piperidin-4-yl-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137114690

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-2-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1H-indole?
The IUPAC name of 4-(furan-3-yl)-2-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1H-indole (CID 137113298) is 4-(furan-3-yl)-2-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1H-indole.
What is the SMILES notation for 4-(furan-3-yl)-2-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1H-indole?
The canonical SMILES for 4-(furan-3-yl)-2-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1H-indole is c1cc(-c2ccoc2)c2cc(-c3cc(C4CCNCC4)[nH]n3)[nH]c2c1.
What is the InChIKey of 4-(furan-3-yl)-2-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1H-indole?
The InChIKey is VXENXAKWGWUGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-2-15(14-6-9-25-12-14)16-10-19(22-17(16)3-1)20-11-18(23-24-20)13-4-7-21-8-5-13/h1-3,6,9-13,21-22H,4-5,7-8H2,(H,23,24).
What are the key properties of 4-(furan-3-yl)-2-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1H-indole?
4-(furan-3-yl)-2-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1H-indole has a molecular weight of 332.41 g/mol, XLogP of 4.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-2-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1H-indole is sourced from PubChem (CID 137113298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).