2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine

C26H34N6 — CID 145424641

IUPAC2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCN1CCN(c2cccc3nc(C4CCCC(c5ncccc5C5CC5)N4C)cn23)CC1
InChIInChI=1S/C26H34N6/c1-29-14-16-31(17-15-29)25-10-4-9-24-28-21(18-32(24)25)22-7-3-8-23(30(22)2)26-20(19-11-12-19)6-5-13-27-26/h4-6,9-10,13,18-19,22-23H,3,7-8,11-12,14-17H2,1-2H3
InChIKeyYJSIEIQJPUPAIR-UHFFFAOYSA-N
MW430.60 g/mol
LogP4.26
Rot. Bonds4

About 2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine

2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 145424641) has the molecular formula C26H34N6 and a molecular weight of 430.60 g/mol. Its IUPAC name is 2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
PubChem CID145424641
Molecular FormulaC26H34N6
Molecular Weight430.60 g/mol
Exact Mass430.28
IUPAC Name2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCN1CCN(c2cccc3nc(C4CCCC(c5ncccc5C5CC5)N4C)cn23)CC1
InChIInChI=1S/C26H34N6/c1-29-14-16-31(17-15-29)25-10-4-9-24-28-21(18-32(24)25)22-7-3-8-23(30(22)2)26-20(19-11-12-19)6-5-13-27-26/h4-6,9-10,13,18-19,22-23H,3,7-8,11-12,14-17H2,1-2H3
InChIKeyYJSIEIQJPUPAIR-UHFFFAOYSA-N
XLogP4.26
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine (CID 145424641) is 2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine is CN1CCN(c2cccc3nc(C4CCCC(c5ncccc5C5CC5)N4C)cn23)CC1.
What is the InChIKey of 2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is YJSIEIQJPUPAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6/c1-29-14-16-31(17-15-29)25-10-4-9-24-28-21(18-32(24)25)22-7-3-8-23(30(22)2)26-20(19-11-12-19)6-5-13-27-26/h4-6,9-10,13,18-19,22-23H,3,7-8,11-12,14-17H2,1-2H3.
What are the key properties of 2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 430.60 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).