5-[(dimethylamino)methyl]-1-(1-methylimidazo[4,5-c]pyridin-4-yl)pyrrolidin-3-ol

C14H21N5O — CID 103386171

IUPAC5-[(dimethylamino)methyl]-1-(1-methylimidazo[4,5-c]pyridin-4-yl)pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1nccc2c1ncn2C
InChIInChI=1S/C14H21N5O/c1-17(2)7-10-6-11(20)8-19(10)14-13-12(4-5-15-14)18(3)9-16-13/h4-5,9-11,20H,6-8H2,1-3H3
InChIKeyJFZHKKUUNSNPSZ-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.47
Rot. Bonds3

About 5-[(dimethylamino)methyl]-1-(1-methylimidazo[4,5-c]pyridin-4-yl)pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(1-methylimidazo[4,5-c]pyridin-4-yl)pyrrolidin-3-ol (PubChem CID 103386171) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(1-methylimidazo[4,5-c]pyridin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(1-methylimidazo[4,5-c]pyridin-4-yl)pyrrolidin-3-ol
PubChem CID103386171
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name5-[(dimethylamino)methyl]-1-(1-methylimidazo[4,5-c]pyridin-4-yl)pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1nccc2c1ncn2C
InChIInChI=1S/C14H21N5O/c1-17(2)7-10-6-11(20)8-19(10)14-13-12(4-5-15-14)18(3)9-16-13/h4-5,9-11,20H,6-8H2,1-3H3
InChIKeyJFZHKKUUNSNPSZ-UHFFFAOYSA-N
XLogP0.47
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-(1-methylimidazo[4,5-c]pyridin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(1-methylimidazo[4,5-c]pyridin-4-yl)pyrrolidin-3-ol (CID 103386171) is 5-[(dimethylamino)methyl]-1-(1-methylimidazo[4,5-c]pyridin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(1-methylimidazo[4,5-c]pyridin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(1-methylimidazo[4,5-c]pyridin-4-yl)pyrrolidin-3-ol is CN(C)CC1CC(O)CN1c1nccc2c1ncn2C.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(1-methylimidazo[4,5-c]pyridin-4-yl)pyrrolidin-3-ol?
The InChIKey is JFZHKKUUNSNPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-17(2)7-10-6-11(20)8-19(10)14-13-12(4-5-15-14)18(3)9-16-13/h4-5,9-11,20H,6-8H2,1-3H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-(1-methylimidazo[4,5-c]pyridin-4-yl)pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(1-methylimidazo[4,5-c]pyridin-4-yl)pyrrolidin-3-ol has a molecular weight of 275.36 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-(1-methylimidazo[4,5-c]pyridin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 103386171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).