2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-3-yl)oxymethyl]imidazo[1,2-a]pyridine

C26H35N5O — CID 145424663

IUPAC2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-3-yl)oxymethyl]imidazo[1,2-a]pyridine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2COC2CCCN(C)C2)N1C
InChIInChI=1S/C26H35N5O/c1-19-9-7-14-27-25(19)21-11-6-12-22(30(21)3)26-23(31-16-5-4-13-24(31)28-26)18-32-20-10-8-15-29(2)17-20/h4-5,7,9,13-14,16,20-22H,6,8,10-12,15,17-18H2,1-3H3/t20?,21-,22+/m0/s1
InChIKeyLNWQXUZPQXFNHO-JTGIGXABSA-N
MW433.60 g/mol
LogP4.55
Rot. Bonds5

About 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-3-yl)oxymethyl]imidazo[1,2-a]pyridine

2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-3-yl)oxymethyl]imidazo[1,2-a]pyridine (PubChem CID 145424663) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-3-yl)oxymethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-3-yl)oxymethyl]imidazo[1,2-a]pyridine
PubChem CID145424663
Molecular FormulaC26H35N5O
Molecular Weight433.60 g/mol
Exact Mass433.28
IUPAC Name2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-3-yl)oxymethyl]imidazo[1,2-a]pyridine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2COC2CCCN(C)C2)N1C
InChIInChI=1S/C26H35N5O/c1-19-9-7-14-27-25(19)21-11-6-12-22(30(21)3)26-23(31-16-5-4-13-24(31)28-26)18-32-20-10-8-15-29(2)17-20/h4-5,7,9,13-14,16,20-22H,6,8,10-12,15,17-18H2,1-3H3/t20?,21-,22+/m0/s1
InChIKeyLNWQXUZPQXFNHO-JTGIGXABSA-N
XLogP4.55
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-3-yl)oxymethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-3-yl)oxymethyl]imidazo[1,2-a]pyridine (CID 145424663) is 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-3-yl)oxymethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-3-yl)oxymethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-3-yl)oxymethyl]imidazo[1,2-a]pyridine is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2COC2CCCN(C)C2)N1C.
What is the InChIKey of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-3-yl)oxymethyl]imidazo[1,2-a]pyridine?
The InChIKey is LNWQXUZPQXFNHO-JTGIGXABSA-N. The full InChI is InChI=1S/C26H35N5O/c1-19-9-7-14-27-25(19)21-11-6-12-22(30(21)3)26-23(31-16-5-4-13-24(31)28-26)18-32-20-10-8-15-29(2)17-20/h4-5,7,9,13-14,16,20-22H,6,8,10-12,15,17-18H2,1-3H3/t20?,21-,22+/m0/s1.
What are the key properties of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-3-yl)oxymethyl]imidazo[1,2-a]pyridine?
2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-3-yl)oxymethyl]imidazo[1,2-a]pyridine has a molecular weight of 433.60 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-3-yl)oxymethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).