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

C26H35ClN6O — CID 145424628

IUPAC2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-3-(ethoxymethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCCOCc1c([C@H]2CCC[C@@H](c3ncccc3Cl)N2C)nc2cccc(N3CCN(C)CC3)n12
InChIInChI=1S/C26H35ClN6O/c1-4-34-18-22-26(21-10-5-9-20(31(21)3)25-19(27)8-7-13-28-25)29-23-11-6-12-24(33(22)23)32-16-14-30(2)15-17-32/h6-8,11-13,20-21H,4-5,9-10,14-18H2,1-3H3/t20-,21+/m0/s1
InChIKeyVCPBKTCIKKLOFA-LEWJYISDSA-N
MW483.06 g/mol
LogP4.57
Rot. Bonds6

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

2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-3-(ethoxymethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 145424628) has the molecular formula C26H35ClN6O and a molecular weight of 483.06 g/mol. Its IUPAC name is 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-3-(ethoxymethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-3-(ethoxymethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
PubChem CID145424628
Molecular FormulaC26H35ClN6O
Molecular Weight483.06 g/mol
Exact Mass482.26
IUPAC Name2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-3-(ethoxymethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCCOCc1c([C@H]2CCC[C@@H](c3ncccc3Cl)N2C)nc2cccc(N3CCN(C)CC3)n12
InChIInChI=1S/C26H35ClN6O/c1-4-34-18-22-26(21-10-5-9-20(31(21)3)25-19(27)8-7-13-28-25)29-23-11-6-12-24(33(22)23)32-16-14-30(2)15-17-32/h6-8,11-13,20-21H,4-5,9-10,14-18H2,1-3H3/t20-,21+/m0/s1
InChIKeyVCPBKTCIKKLOFA-LEWJYISDSA-N
XLogP4.57
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.06
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-3-(ethoxymethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-3-(ethoxymethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-3-(ethoxymethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine (CID 145424628) is 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-3-(ethoxymethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-3-(ethoxymethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-3-(ethoxymethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine is CCOCc1c([C@H]2CCC[C@@H](c3ncccc3Cl)N2C)nc2cccc(N3CCN(C)CC3)n12.
What is the InChIKey of 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-3-(ethoxymethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is VCPBKTCIKKLOFA-LEWJYISDSA-N. The full InChI is InChI=1S/C26H35ClN6O/c1-4-34-18-22-26(21-10-5-9-20(31(21)3)25-19(27)8-7-13-28-25)29-23-11-6-12-24(33(22)23)32-16-14-30(2)15-17-32/h6-8,11-13,20-21H,4-5,9-10,14-18H2,1-3H3/t20-,21+/m0/s1.
What are the key properties of 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-3-(ethoxymethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-3-(ethoxymethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 483.06 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-3-(ethoxymethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).