3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine

C27H37N5O — CID 145424748

IUPAC3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
SMILESCO[C@H](c1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2ccccn12)C1CCN(C)CC1
InChIInChI=1S/C27H37N5O/c1-19-9-8-15-28-24(19)21-10-7-11-22(31(21)3)25-26(32-16-6-5-12-23(32)29-25)27(33-4)20-13-17-30(2)18-14-20/h5-6,8-9,12,15-16,20-22,27H,7,10-11,13-14,17-18H2,1-4H3/t21-,22+,27-/m0/s1
InChIKeyHADCJUDWZUEDAK-XXAUWVGASA-N
MW447.63 g/mol
LogP4.97
Rot. Bonds5

About 3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine

3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 145424748) has the molecular formula C27H37N5O and a molecular weight of 447.63 g/mol. Its IUPAC name is 3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
PubChem CID145424748
Molecular FormulaC27H37N5O
Molecular Weight447.63 g/mol
Exact Mass447.30
IUPAC Name3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
SMILESCO[C@H](c1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2ccccn12)C1CCN(C)CC1
InChIInChI=1S/C27H37N5O/c1-19-9-8-15-28-24(19)21-10-7-11-22(31(21)3)25-26(32-16-6-5-12-23(32)29-25)27(33-4)20-13-17-30(2)18-14-20/h5-6,8-9,12,15-16,20-22,27H,7,10-11,13-14,17-18H2,1-4H3/t21-,22+,27-/m0/s1
InChIKeyHADCJUDWZUEDAK-XXAUWVGASA-N
XLogP4.97
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.63
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine (CID 145424748) is 3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine is CO[C@H](c1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2ccccn12)C1CCN(C)CC1.
What is the InChIKey of 3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is HADCJUDWZUEDAK-XXAUWVGASA-N. The full InChI is InChI=1S/C27H37N5O/c1-19-9-8-15-28-24(19)21-10-7-11-22(31(21)3)25-26(32-16-6-5-12-23(32)29-25)27(33-4)20-13-17-30(2)18-14-20/h5-6,8-9,12,15-16,20-22,27H,7,10-11,13-14,17-18H2,1-4H3/t21-,22+,27-/m0/s1.
What are the key properties of 3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?
3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 447.63 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).