(2S)-2-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-1-ol

C15H23N3O — CID 96524708

IUPAC(2S)-2-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-1-ol
SMILESCCC[C@@](C)(CO)NCc1cnc2cc(C)ccn12
InChIInChI=1S/C15H23N3O/c1-4-6-15(3,11-19)17-10-13-9-16-14-8-12(2)5-7-18(13)14/h5,7-9,17,19H,4,6,10-11H2,1-3H3/t15-/m0/s1
InChIKeyUPGTUZZRCVJROL-HNNXBMFYSA-N
MW261.37 g/mol
LogP2.28
Rot. Bonds6

About (2S)-2-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-1-ol

(2S)-2-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-1-ol (PubChem CID 96524708) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2S)-2-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name(2S)-2-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-1-ol
PubChem CID96524708
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2S)-2-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-1-ol
SMILESCCC[C@@](C)(CO)NCc1cnc2cc(C)ccn12
InChIInChI=1S/C15H23N3O/c1-4-6-15(3,11-19)17-10-13-9-16-14-8-12(2)5-7-18(13)14/h5,7-9,17,19H,4,6,10-11H2,1-3H3/t15-/m0/s1
InChIKeyUPGTUZZRCVJROL-HNNXBMFYSA-N
XLogP2.28
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-1-ol?
The IUPAC name of (2S)-2-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-1-ol (CID 96524708) is (2S)-2-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-1-ol.
What is the SMILES notation for (2S)-2-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-1-ol?
The canonical SMILES for (2S)-2-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-1-ol is CCC[C@@](C)(CO)NCc1cnc2cc(C)ccn12.
What is the InChIKey of (2S)-2-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-1-ol?
The InChIKey is UPGTUZZRCVJROL-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-6-15(3,11-19)17-10-13-9-16-14-8-12(2)5-7-18(13)14/h5,7-9,17,19H,4,6,10-11H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-2-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-1-ol?
(2S)-2-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 96524708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).