(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C20H24N6O — CID 110414706

IUPAC(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)(C)c1nc(C(=O)N2CCN(c3ncccn3)CC2)c2ccccn12
InChIInChI=1S/C20H24N6O/c1-20(2,3)18-23-16(15-7-4-5-10-26(15)18)17(27)24-11-13-25(14-12-24)19-21-8-6-9-22-19/h4-10H,11-14H2,1-3H3
InChIKeyIVUZCCFXZWOTRF-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.38
Rot. Bonds2

About (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 110414706) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID110414706
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)(C)c1nc(C(=O)N2CCN(c3ncccn3)CC2)c2ccccn12
InChIInChI=1S/C20H24N6O/c1-20(2,3)18-23-16(15-7-4-5-10-26(15)18)17(27)24-11-13-25(14-12-24)19-21-8-6-9-22-19/h4-10H,11-14H2,1-3H3
InChIKeyIVUZCCFXZWOTRF-UHFFFAOYSA-N
XLogP2.38
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 110414706) is (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CC(C)(C)c1nc(C(=O)N2CCN(c3ncccn3)CC2)c2ccccn12.
What is the InChIKey of (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is IVUZCCFXZWOTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-20(2,3)18-23-16(15-7-4-5-10-26(15)18)17(27)24-11-13-25(14-12-24)19-21-8-6-9-22-19/h4-10H,11-14H2,1-3H3.
What are the key properties of (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 364.45 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110414706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).