(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone

C23H25N7O2 — CID 90491426

IUPAC(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1nc2ccccn2c1C(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)cn2)CC1
InChIInChI=1S/C23H25N7O2/c1-15(2)22-26-21(27-32-22)17-7-8-18(24-14-17)28-10-12-29(13-11-28)23(31)20-16(3)25-19-6-4-5-9-30(19)20/h4-9,14-15H,10-13H2,1-3H3
InChIKeyWHOIAYFLPSSIJE-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.17
Rot. Bonds4

About (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone

(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 90491426) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID90491426
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1nc2ccccn2c1C(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)cn2)CC1
InChIInChI=1S/C23H25N7O2/c1-15(2)22-26-21(27-32-22)17-7-8-18(24-14-17)28-10-12-29(13-11-28)23(31)20-16(3)25-19-6-4-5-9-30(19)20/h4-9,14-15H,10-13H2,1-3H3
InChIKeyWHOIAYFLPSSIJE-UHFFFAOYSA-N
XLogP3.17
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone (CID 90491426) is (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone is Cc1nc2ccccn2c1C(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)cn2)CC1.
What is the InChIKey of (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is WHOIAYFLPSSIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-15(2)22-26-21(27-32-22)17-7-8-18(24-14-17)28-10-12-29(13-11-28)23(31)20-16(3)25-19-6-4-5-9-30(19)20/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone?
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 431.50 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 90491426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).