1-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C19H27N5O — CID 70765827

IUPAC1-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1ccc2nc(CN3CCN(C)C4(CCNC(=O)CC4)C3)cn2c1
InChIInChI=1S/C19H27N5O/c1-15-3-4-17-21-16(13-24(17)11-15)12-23-10-9-22(2)19(14-23)6-5-18(25)20-8-7-19/h3-4,11,13H,5-10,12,14H2,1-2H3,(H,20,25)
InChIKeyVKTKHAHKAZMKMD-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.43
Rot. Bonds2

About 1-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

1-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 70765827) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name1-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID70765827
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1ccc2nc(CN3CCN(C)C4(CCNC(=O)CC4)C3)cn2c1
InChIInChI=1S/C19H27N5O/c1-15-3-4-17-21-16(13-24(17)11-15)12-23-10-9-22(2)19(14-23)6-5-18(25)20-8-7-19/h3-4,11,13H,5-10,12,14H2,1-2H3,(H,20,25)
InChIKeyVKTKHAHKAZMKMD-UHFFFAOYSA-N
XLogP1.43
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-7-[(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 70769771
4-[[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]methyl]benzoic acid
CID 98788809
(6S)-1-methyl-4-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97155412
(6R)-1-methyl-4-[(1-propylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98788792
1-methyl-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70725851
4-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70736430
(6R)-1-methyl-4-(3-pyridin-3-ylpropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98788911
4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72883515
(6S)-4-[(5-chloro-2,4-dimethoxyphenyl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97146191
2-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
CID 43521725
4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-2-one
CID 22107793
(5S)-3-methyl-9-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95728806

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 1-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 70765827) is 1-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 1-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 1-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is Cc1ccc2nc(CN3CCN(C)C4(CCNC(=O)CC4)C3)cn2c1.
What is the InChIKey of 1-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is VKTKHAHKAZMKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-15-3-4-17-21-16(13-24(17)11-15)12-23-10-9-22(2)19(14-23)6-5-18(25)20-8-7-19/h3-4,11,13H,5-10,12,14H2,1-2H3,(H,20,25).
What are the key properties of 1-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
1-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 341.46 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 70765827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).