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

C28H38N6O — CID 145424595

IUPAC3-(cyclopropyloxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)n3c2COC2CC2)N1C
InChIInChI=1S/C28H38N6O/c1-20-7-6-14-29-27(20)22-8-4-9-23(32(22)3)28-24(19-35-21-12-13-21)34-25(30-28)10-5-11-26(34)33-17-15-31(2)16-18-33/h5-7,10-11,14,21-23H,4,8-9,12-13,15-19H2,1-3H3/t22-,23+/m0/s1
InChIKeyACGIBAOJKBTNJO-XZOQPEGZSA-N
MW474.65 g/mol
LogP4.37
Rot. Bonds6

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

3-(cyclopropyloxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 145424595) has the molecular formula C28H38N6O and a molecular weight of 474.65 g/mol. Its IUPAC name is 3-(cyclopropyloxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(cyclopropyloxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
PubChem CID145424595
Molecular FormulaC28H38N6O
Molecular Weight474.65 g/mol
Exact Mass474.31
IUPAC Name3-(cyclopropyloxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)n3c2COC2CC2)N1C
InChIInChI=1S/C28H38N6O/c1-20-7-6-14-29-27(20)22-8-4-9-23(32(22)3)28-24(19-35-21-12-13-21)34-25(30-28)10-5-11-26(34)33-17-15-31(2)16-18-33/h5-7,10-11,14,21-23H,4,8-9,12-13,15-19H2,1-3H3/t22-,23+/m0/s1
InChIKeyACGIBAOJKBTNJO-XZOQPEGZSA-N
XLogP4.37
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropyloxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(cyclopropyloxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine (CID 145424595) is 3-(cyclopropyloxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(cyclopropyloxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(cyclopropyloxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)n3c2COC2CC2)N1C.
What is the InChIKey of 3-(cyclopropyloxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is ACGIBAOJKBTNJO-XZOQPEGZSA-N. The full InChI is InChI=1S/C28H38N6O/c1-20-7-6-14-29-27(20)22-8-4-9-23(32(22)3)28-24(19-35-21-12-13-21)34-25(30-28)10-5-11-26(34)33-17-15-31(2)16-18-33/h5-7,10-11,14,21-23H,4,8-9,12-13,15-19H2,1-3H3/t22-,23+/m0/s1.
What are the key properties of 3-(cyclopropyloxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?
3-(cyclopropyloxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 474.65 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropyloxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).