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

C25H33ClN6 — CID 145424543

IUPAC2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCC(C)N1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5Cl)N4C)cn23)CC1
InChIInChI=1S/C25H33ClN6/c1-18(2)30-13-15-31(16-14-30)24-11-5-10-23-28-20(17-32(23)24)21-8-4-9-22(29(21)3)25-19(26)7-6-12-27-25/h5-7,10-12,17-18,21-22H,4,8-9,13-16H2,1-3H3/t21-,22+/m1/s1
InChIKeyDPOOPHXKCRLBHT-YADHBBJMSA-N
MW453.03 g/mol
LogP4.81
Rot. Bonds4

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

2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 145424543) has the molecular formula C25H33ClN6 and a molecular weight of 453.03 g/mol. Its IUPAC name is 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine
PubChem CID145424543
Molecular FormulaC25H33ClN6
Molecular Weight453.03 g/mol
Exact Mass452.25
IUPAC Name2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCC(C)N1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5Cl)N4C)cn23)CC1
InChIInChI=1S/C25H33ClN6/c1-18(2)30-13-15-31(16-14-30)24-11-5-10-23-28-20(17-32(23)24)21-8-4-9-22(29(21)3)25-19(26)7-6-12-27-25/h5-7,10-12,17-18,21-22H,4,8-9,13-16H2,1-3H3/t21-,22+/m1/s1
InChIKeyDPOOPHXKCRLBHT-YADHBBJMSA-N
XLogP4.81
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.03
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine (CID 145424543) is 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-propan-2-ylpiperazin-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]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine is CC(C)N1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5Cl)N4C)cn23)CC1.
What is the InChIKey of 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is DPOOPHXKCRLBHT-YADHBBJMSA-N. The full InChI is InChI=1S/C25H33ClN6/c1-18(2)30-13-15-31(16-14-30)24-11-5-10-23-28-20(17-32(23)24)21-8-4-9-22(29(21)3)25-19(26)7-6-12-27-25/h5-7,10-12,17-18,21-22H,4,8-9,13-16H2,1-3H3/t21-,22+/m1/s1.
What are the key properties of 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine?
2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 453.03 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).