5-(4-cyclopropylpiperazin-1-yl)-3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine

C29H40N6O — CID 145424656

IUPAC5-(4-cyclopropylpiperazin-1-yl)-3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
SMILESCCOCc1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2cccc(N3CCN(C4CC4)CC3)n12
InChIInChI=1S/C29H40N6O/c1-4-36-20-25-29(24-10-5-9-23(32(24)3)28-21(2)8-7-15-30-28)31-26-11-6-12-27(35(25)26)34-18-16-33(17-19-34)22-13-14-22/h6-8,11-12,15,22-24H,4-5,9-10,13-14,16-20H2,1-3H3/t23-,24+/m0/s1
InChIKeyKXPSPKWWKRKKSH-BJKOFHAPSA-N
MW488.68 g/mol
LogP4.76
Rot. Bonds7

About 5-(4-cyclopropylpiperazin-1-yl)-3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine

5-(4-cyclopropylpiperazin-1-yl)-3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 145424656) has the molecular formula C29H40N6O and a molecular weight of 488.68 g/mol. Its IUPAC name is 5-(4-cyclopropylpiperazin-1-yl)-3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-(4-cyclopropylpiperazin-1-yl)-3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
PubChem CID145424656
Molecular FormulaC29H40N6O
Molecular Weight488.68 g/mol
Exact Mass488.33
IUPAC Name5-(4-cyclopropylpiperazin-1-yl)-3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
SMILESCCOCc1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2cccc(N3CCN(C4CC4)CC3)n12
InChIInChI=1S/C29H40N6O/c1-4-36-20-25-29(24-10-5-9-23(32(24)3)28-21(2)8-7-15-30-28)31-26-11-6-12-27(35(25)26)34-18-16-33(17-19-34)22-13-14-22/h6-8,11-12,15,22-24H,4-5,9-10,13-14,16-20H2,1-3H3/t23-,24+/m0/s1
InChIKeyKXPSPKWWKRKKSH-BJKOFHAPSA-N
XLogP4.76
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.68
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(4-cyclopropylpiperazin-1-yl)-3-(ethoxymethyl)-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 5-(4-cyclopropylpiperazin-1-yl)-3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 5-(4-cyclopropylpiperazin-1-yl)-3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine (CID 145424656) is 5-(4-cyclopropylpiperazin-1-yl)-3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-(4-cyclopropylpiperazin-1-yl)-3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 5-(4-cyclopropylpiperazin-1-yl)-3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine is CCOCc1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2cccc(N3CCN(C4CC4)CC3)n12.
What is the InChIKey of 5-(4-cyclopropylpiperazin-1-yl)-3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is KXPSPKWWKRKKSH-BJKOFHAPSA-N. The full InChI is InChI=1S/C29H40N6O/c1-4-36-20-25-29(24-10-5-9-23(32(24)3)28-21(2)8-7-15-30-28)31-26-11-6-12-27(35(25)26)34-18-16-33(17-19-34)22-13-14-22/h6-8,11-12,15,22-24H,4-5,9-10,13-14,16-20H2,1-3H3/t23-,24+/m0/s1.
What are the key properties of 5-(4-cyclopropylpiperazin-1-yl)-3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?
5-(4-cyclopropylpiperazin-1-yl)-3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 488.68 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylpiperazin-1-yl)-3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).