[4-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanone

C21H35N5O3S — CID 97254710

IUPAC[4-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanone
SMILESCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(Cc2c(C)nc3n2CCCC3)CC1
InChIInChI=1S/C21H35N5O3S/c1-3-15-30(28,29)26-10-6-7-18(26)21(27)24-13-11-23(12-14-24)16-19-17(2)22-20-8-4-5-9-25(19)20/h18H,3-16H2,1-2H3/t18-/m1/s1
InChIKeyFXHCCQJCLOLXHM-GOSISDBHSA-N
MW437.61 g/mol
LogP1.38
Rot. Bonds6

About [4-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanone

[4-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanone (PubChem CID 97254710) has the molecular formula C21H35N5O3S and a molecular weight of 437.61 g/mol. Its IUPAC name is [4-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[4-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanone
PubChem CID97254710
Molecular FormulaC21H35N5O3S
Molecular Weight437.61 g/mol
Exact Mass437.25
IUPAC Name[4-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanone
SMILESCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(Cc2c(C)nc3n2CCCC3)CC1
InChIInChI=1S/C21H35N5O3S/c1-3-15-30(28,29)26-10-6-7-18(26)21(27)24-13-11-23(12-14-24)16-19-17(2)22-20-8-4-5-9-25(19)20/h18H,3-16H2,1-2H3/t18-/m1/s1
InChIKeyFXHCCQJCLOLXHM-GOSISDBHSA-N
XLogP1.38
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanone?
The IUPAC name of [4-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanone (CID 97254710) is [4-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanone.
What is the SMILES notation for [4-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanone?
The canonical SMILES for [4-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanone is CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(Cc2c(C)nc3n2CCCC3)CC1.
What is the InChIKey of [4-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanone?
The InChIKey is FXHCCQJCLOLXHM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H35N5O3S/c1-3-15-30(28,29)26-10-6-7-18(26)21(27)24-13-11-23(12-14-24)16-19-17(2)22-20-8-4-5-9-25(19)20/h18H,3-16H2,1-2H3/t18-/m1/s1.
What are the key properties of [4-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanone?
[4-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanone has a molecular weight of 437.61 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 97254710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).