1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone

C17H24N4O2 — CID 56892335

IUPAC1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1cccn2c(CC(=O)N3CCC(O)(CN(C)C)C3)cnc12
InChIInChI=1S/C17H24N4O2/c1-13-5-4-7-21-14(10-18-16(13)21)9-15(22)20-8-6-17(23,12-20)11-19(2)3/h4-5,7,10,23H,6,8-9,11-12H2,1-3H3
InChIKeyPAHKGBCVRNQRIM-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.71
Rot. Bonds4

About 1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone

1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone (PubChem CID 56892335) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
PubChem CID56892335
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1cccn2c(CC(=O)N3CCC(O)(CN(C)C)C3)cnc12
InChIInChI=1S/C17H24N4O2/c1-13-5-4-7-21-14(10-18-16(13)21)9-15(22)20-8-6-17(23,12-20)11-19(2)3/h4-5,7,10,23H,6,8-9,11-12H2,1-3H3
InChIKeyPAHKGBCVRNQRIM-UHFFFAOYSA-N
XLogP0.71
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The IUPAC name of 1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone (CID 56892335) is 1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone is Cc1cccn2c(CC(=O)N3CCC(O)(CN(C)C)C3)cnc12.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The InChIKey is PAHKGBCVRNQRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-5-4-7-21-14(10-18-16(13)21)9-15(22)20-8-6-17(23,12-20)11-19(2)3/h4-5,7,10,23H,6,8-9,11-12H2,1-3H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone has a molecular weight of 316.40 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 56892335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).