1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C15H21ClN4O — CID 66051281

IUPAC1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1Cc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C15H21ClN4O/c1-18(2)9-13-5-14(21)10-19(13)7-12-8-20-6-11(16)3-4-15(20)17-12/h3-4,6,8,13-14,21H,5,7,9-10H2,1-2H3
InChIKeyNXTQMSUDPPXBHO-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.48
Rot. Bonds4

About 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66051281) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66051281
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1Cc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C15H21ClN4O/c1-18(2)9-13-5-14(21)10-19(13)7-12-8-20-6-11(16)3-4-15(20)17-12/h3-4,6,8,13-14,21H,5,7,9-10H2,1-2H3
InChIKeyNXTQMSUDPPXBHO-UHFFFAOYSA-N
XLogP1.48
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66051281) is 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1Cc1cn2cc(Cl)ccc2n1.
What is the InChIKey of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is NXTQMSUDPPXBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-18(2)9-13-5-14(21)10-19(13)7-12-8-20-6-11(16)3-4-15(20)17-12/h3-4,6,8,13-14,21H,5,7,9-10H2,1-2H3.
What are the key properties of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 308.81 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66051281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).