3-chloro-2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine

C23H29ClN6O — CID 145424666

IUPAC3-chloro-2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCOc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)n3c2Cl)N1
InChIInChI=1S/C23H29ClN6O/c1-28-12-14-29(15-13-28)20-10-4-9-19-27-22(23(24)30(19)20)17-7-3-6-16(26-17)21-18(31-2)8-5-11-25-21/h4-5,8-11,16-17,26H,3,6-7,12-15H2,1-2H3/t16-,17+/m0/s1
InChIKeySSHVZOYJWPGAIP-DLBZAZTESA-N
MW440.98 g/mol
LogP3.70
Rot. Bonds4

About 3-chloro-2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine

3-chloro-2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 145424666) has the molecular formula C23H29ClN6O and a molecular weight of 440.98 g/mol. Its IUPAC name is 3-chloro-2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-chloro-2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
PubChem CID145424666
Molecular FormulaC23H29ClN6O
Molecular Weight440.98 g/mol
Exact Mass440.21
IUPAC Name3-chloro-2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCOc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)n3c2Cl)N1
InChIInChI=1S/C23H29ClN6O/c1-28-12-14-29(15-13-28)20-10-4-9-19-27-22(23(24)30(19)20)17-7-3-6-16(26-17)21-18(31-2)8-5-11-25-21/h4-5,8-11,16-17,26H,3,6-7,12-15H2,1-2H3/t16-,17+/m0/s1
InChIKeySSHVZOYJWPGAIP-DLBZAZTESA-N
XLogP3.70
TPSA57.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-chloro-2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine (CID 145424666) is 3-chloro-2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-chloro-2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-chloro-2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine is COc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)n3c2Cl)N1.
What is the InChIKey of 3-chloro-2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is SSHVZOYJWPGAIP-DLBZAZTESA-N. The full InChI is InChI=1S/C23H29ClN6O/c1-28-12-14-29(15-13-28)20-10-4-9-19-27-22(23(24)30(19)20)17-7-3-6-16(26-17)21-18(31-2)8-5-11-25-21/h4-5,8-11,16-17,26H,3,6-7,12-15H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of 3-chloro-2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
3-chloro-2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 440.98 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2R,6S)-6-(3-methoxy-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).