2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone

C26H28N4O — CID 148671194

IUPAC2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone
SMILESCN1CC(CC(=O)c2ccc3c(c2)C(c2ccc4nccn4c2)=NC3)CCC1C1CC1
InChIInChI=1S/C26H28N4O/c1-29-15-17(2-8-23(29)18-3-4-18)12-24(31)19-5-6-20-14-28-26(22(20)13-19)21-7-9-25-27-10-11-30(25)16-21/h5-7,9-11,13,16-18,23H,2-4,8,12,14-15H2,1H3
InChIKeyNPTDXBPZACTFTH-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.38
Rot. Bonds5

About 2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone

2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone (PubChem CID 148671194) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone.

Molecular Properties

Compound Name2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone
PubChem CID148671194
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone
SMILESCN1CC(CC(=O)c2ccc3c(c2)C(c2ccc4nccn4c2)=NC3)CCC1C1CC1
InChIInChI=1S/C26H28N4O/c1-29-15-17(2-8-23(29)18-3-4-18)12-24(31)19-5-6-20-14-28-26(22(20)13-19)21-7-9-25-27-10-11-30(25)16-21/h5-7,9-11,13,16-18,23H,2-4,8,12,14-15H2,1H3
InChIKeyNPTDXBPZACTFTH-UHFFFAOYSA-N
XLogP4.38
TPSA49.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Zolpidem
CID 5732
AR-H047108
CID 9864291
AP-24226
CID 25210550
N-cyclopropyl-4-{8-[(2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide
CID 67974488
4-[6-benzyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 57382738
1-[2-(4-Methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]ethanone
CID 974031
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(pyridin-2-yl)benzamide
CID 11222404
N-(2-isopropylimidazo[1,2-a]pyridin-6-yl)-4''-(trifluoromethyl)biphenyl-4-carboxamide
CID 11683259
Pyrido[2',1':2,3]imidazo[4,5-c]isoquinolin-5(6H)-one
CID 13815303
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(6-fluoropyridin-3-yl)benzamide
CID 23120512
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-(trifluoromethyl)pyridin-2-yl)benzamide
CID 23120540
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4''-(trifluoromethyl)biphenyl-4-carboxamide
CID 23120564

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone?
The IUPAC name of 2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone (CID 148671194) is 2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone.
What is the SMILES notation for 2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone?
The canonical SMILES for 2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone is CN1CC(CC(=O)c2ccc3c(c2)C(c2ccc4nccn4c2)=NC3)CCC1C1CC1.
What is the InChIKey of 2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone?
The InChIKey is NPTDXBPZACTFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-29-15-17(2-8-23(29)18-3-4-18)12-24(31)19-5-6-20-14-28-26(22(20)13-19)21-7-9-25-27-10-11-30(25)16-21/h5-7,9-11,13,16-18,23H,2-4,8,12,14-15H2,1H3.
What are the key properties of 2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone?
2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone has a molecular weight of 412.54 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone is sourced from PubChem (CID 148671194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).