2-methyl-3-[(1S,3S)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine

C26H27N5O — CID 129097380

IUPAC2-methyl-3-[(1S,3S)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine
SMILESCc1nc2ccc(-c3ccc(N4CCNCC4)nc3)cn2c1[C@H]1O[C@@H](C)c2ccccc21
InChIInChI=1S/C26H27N5O/c1-17-25(26-22-6-4-3-5-21(22)18(2)32-26)31-16-20(8-10-24(31)29-17)19-7-9-23(28-15-19)30-13-11-27-12-14-30/h3-10,15-16,18,26-27H,11-14H2,1-2H3/t18-,26-/m0/s1
InChIKeyFMDJRHNCYPXSHM-QYBDOPJKSA-N
MW425.54 g/mol
LogP4.29
Rot. Bonds3

About 2-methyl-3-[(1S,3S)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine

2-methyl-3-[(1S,3S)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine (PubChem CID 129097380) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-methyl-3-[(1S,3S)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-methyl-3-[(1S,3S)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine
PubChem CID129097380
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name2-methyl-3-[(1S,3S)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine
SMILESCc1nc2ccc(-c3ccc(N4CCNCC4)nc3)cn2c1[C@H]1O[C@@H](C)c2ccccc21
InChIInChI=1S/C26H27N5O/c1-17-25(26-22-6-4-3-5-21(22)18(2)32-26)31-16-20(8-10-24(31)29-17)19-7-9-23(28-15-19)30-13-11-27-12-14-30/h3-10,15-16,18,26-27H,11-14H2,1-2H3/t18-,26-/m0/s1
InChIKeyFMDJRHNCYPXSHM-QYBDOPJKSA-N
XLogP4.29
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1S,3S)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-methyl-3-[(1S,3S)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine (CID 129097380) is 2-methyl-3-[(1S,3S)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-methyl-3-[(1S,3S)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-methyl-3-[(1S,3S)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine is Cc1nc2ccc(-c3ccc(N4CCNCC4)nc3)cn2c1[C@H]1O[C@@H](C)c2ccccc21.
What is the InChIKey of 2-methyl-3-[(1S,3S)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine?
The InChIKey is FMDJRHNCYPXSHM-QYBDOPJKSA-N. The full InChI is InChI=1S/C26H27N5O/c1-17-25(26-22-6-4-3-5-21(22)18(2)32-26)31-16-20(8-10-24(31)29-17)19-7-9-23(28-15-19)30-13-11-27-12-14-30/h3-10,15-16,18,26-27H,11-14H2,1-2H3/t18-,26-/m0/s1.
What are the key properties of 2-methyl-3-[(1S,3S)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine?
2-methyl-3-[(1S,3S)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine has a molecular weight of 425.54 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1S,3S)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 129097380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).