[1-(5-chloro-1-methylindole-2-carbonyl)piperidin-4-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone

C23H20ClN5O3 — CID 172523879

IUPAC[1-(5-chloro-1-methylindole-2-carbonyl)piperidin-4-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESCn1c(C(=O)N2CCC(C(=O)c3nnc(-c4cccnc4)o3)CC2)cc2cc(Cl)ccc21
InChIInChI=1S/C23H20ClN5O3/c1-28-18-5-4-17(24)11-16(18)12-19(28)23(31)29-9-6-14(7-10-29)20(30)22-27-26-21(32-22)15-3-2-8-25-13-15/h2-5,8,11-14H,6-7,9-10H2,1H3
InChIKeyJRIXYICVSUHWPA-UHFFFAOYSA-N
MW449.90 g/mol
LogP4.01
Rot. Bonds4

About [1-(5-chloro-1-methylindole-2-carbonyl)piperidin-4-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone

[1-(5-chloro-1-methylindole-2-carbonyl)piperidin-4-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 172523879) has the molecular formula C23H20ClN5O3 and a molecular weight of 449.90 g/mol. Its IUPAC name is [1-(5-chloro-1-methylindole-2-carbonyl)piperidin-4-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[1-(5-chloro-1-methylindole-2-carbonyl)piperidin-4-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID172523879
Molecular FormulaC23H20ClN5O3
Molecular Weight449.90 g/mol
Exact Mass449.13
IUPAC Name[1-(5-chloro-1-methylindole-2-carbonyl)piperidin-4-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESCn1c(C(=O)N2CCC(C(=O)c3nnc(-c4cccnc4)o3)CC2)cc2cc(Cl)ccc21
InChIInChI=1S/C23H20ClN5O3/c1-28-18-5-4-17(24)11-16(18)12-19(28)23(31)29-9-6-14(7-10-29)20(30)22-27-26-21(32-22)15-3-2-8-25-13-15/h2-5,8,11-14H,6-7,9-10H2,1H3
InChIKeyJRIXYICVSUHWPA-UHFFFAOYSA-N
XLogP4.01
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.90
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1-methylindole-2-carbonyl)piperidin-4-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [1-(5-chloro-1-methylindole-2-carbonyl)piperidin-4-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone (CID 172523879) is [1-(5-chloro-1-methylindole-2-carbonyl)piperidin-4-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [1-(5-chloro-1-methylindole-2-carbonyl)piperidin-4-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [1-(5-chloro-1-methylindole-2-carbonyl)piperidin-4-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone is Cn1c(C(=O)N2CCC(C(=O)c3nnc(-c4cccnc4)o3)CC2)cc2cc(Cl)ccc21.
What is the InChIKey of [1-(5-chloro-1-methylindole-2-carbonyl)piperidin-4-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is JRIXYICVSUHWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O3/c1-28-18-5-4-17(24)11-16(18)12-19(28)23(31)29-9-6-14(7-10-29)20(30)22-27-26-21(32-22)15-3-2-8-25-13-15/h2-5,8,11-14H,6-7,9-10H2,1H3.
What are the key properties of [1-(5-chloro-1-methylindole-2-carbonyl)piperidin-4-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone?
[1-(5-chloro-1-methylindole-2-carbonyl)piperidin-4-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 449.90 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1-methylindole-2-carbonyl)piperidin-4-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 172523879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).