(2R,4S,6S)-1-methyl-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-ol

C24H34N6O — CID 146555165

IUPAC(2R,4S,6S)-1-methyl-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-ol
SMILESCc1cccnc1[C@@H]1C[C@@H](O)C[C@H](C2CN3C(N4CCN(C)CC4)=CC=CC3=N2)N1C
InChIInChI=1S/C24H34N6O/c1-17-6-5-9-25-24(17)21-15-18(31)14-20(28(21)3)19-16-30-22(26-19)7-4-8-23(30)29-12-10-27(2)11-13-29/h4-9,18-21,31H,10-16H2,1-3H3/t18-,19?,20+,21-/m0/s1
InChIKeyXJIIDOSLDAPZIX-ISUXGXDNSA-N
MW422.58 g/mol
LogP1.63
Rot. Bonds3

About (2R,4S,6S)-1-methyl-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-ol

(2R,4S,6S)-1-methyl-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-ol (PubChem CID 146555165) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is (2R,4S,6S)-1-methyl-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-ol.

Molecular Properties

Compound Name(2R,4S,6S)-1-methyl-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-ol
PubChem CID146555165
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name(2R,4S,6S)-1-methyl-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-ol
SMILESCc1cccnc1[C@@H]1C[C@@H](O)C[C@H](C2CN3C(N4CCN(C)CC4)=CC=CC3=N2)N1C
InChIInChI=1S/C24H34N6O/c1-17-6-5-9-25-24(17)21-15-18(31)14-20(28(21)3)19-16-30-22(26-19)7-4-8-23(30)29-12-10-27(2)11-13-29/h4-9,18-21,31H,10-16H2,1-3H3/t18-,19?,20+,21-/m0/s1
InChIKeyXJIIDOSLDAPZIX-ISUXGXDNSA-N
XLogP1.63
TPSA58.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R,4S,6S)-1-methyl-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,6S)-1-methyl-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-ol?
The IUPAC name of (2R,4S,6S)-1-methyl-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-ol (CID 146555165) is (2R,4S,6S)-1-methyl-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-ol.
What is the SMILES notation for (2R,4S,6S)-1-methyl-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-ol?
The canonical SMILES for (2R,4S,6S)-1-methyl-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-ol is Cc1cccnc1[C@@H]1C[C@@H](O)C[C@H](C2CN3C(N4CCN(C)CC4)=CC=CC3=N2)N1C.
What is the InChIKey of (2R,4S,6S)-1-methyl-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-ol?
The InChIKey is XJIIDOSLDAPZIX-ISUXGXDNSA-N. The full InChI is InChI=1S/C24H34N6O/c1-17-6-5-9-25-24(17)21-15-18(31)14-20(28(21)3)19-16-30-22(26-19)7-4-8-23(30)29-12-10-27(2)11-13-29/h4-9,18-21,31H,10-16H2,1-3H3/t18-,19?,20+,21-/m0/s1.
What are the key properties of (2R,4S,6S)-1-methyl-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-ol?
(2R,4S,6S)-1-methyl-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-ol has a molecular weight of 422.58 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6S)-1-methyl-2-[5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-ol is sourced from PubChem (CID 146555165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).