(2S)-2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

C23H26ClN5O3 — CID 97204369

IUPAC(2S)-2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C23H26ClN5O3/c1-16(23(30)26-18-3-4-20-21(12-18)32-11-10-31-20)28-8-6-27(7-9-28)14-19-15-29-13-17(24)2-5-22(29)25-19/h2-5,12-13,15-16H,6-11,14H2,1H3,(H,26,30)/t16-/m0/s1
InChIKeyMTGLLXRCVFGKES-INIZCTEOSA-N
MW455.95 g/mol
LogP2.90
Rot. Bonds5

About (2S)-2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

(2S)-2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 97204369) has the molecular formula C23H26ClN5O3 and a molecular weight of 455.95 g/mol. Its IUPAC name is (2S)-2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID97204369
Molecular FormulaC23H26ClN5O3
Molecular Weight455.95 g/mol
Exact Mass455.17
IUPAC Name(2S)-2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C23H26ClN5O3/c1-16(23(30)26-18-3-4-20-21(12-18)32-11-10-31-20)28-8-6-27(7-9-28)14-19-15-29-13-17(24)2-5-22(29)25-19/h2-5,12-13,15-16H,6-11,14H2,1H3,(H,26,30)/t16-/m0/s1
InChIKeyMTGLLXRCVFGKES-INIZCTEOSA-N
XLogP2.90
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.95
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266134
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8774520
2-(azepan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 51167641
2-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 19538420
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]propanamide
CID 30634357
N-(1,3-benzodioxol-5-yl)-2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]propanamide
CID 60511927
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 8819981
2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 53153760
4-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carboxamide
CID 17087357
(2R)-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 41255460
(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8994154
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
CID 60607932

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of (2S)-2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 97204369) is (2S)-2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for (2S)-2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for (2S)-2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1.
What is the InChIKey of (2S)-2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is MTGLLXRCVFGKES-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c1-16(23(30)26-18-3-4-20-21(12-18)32-11-10-31-20)28-8-6-27(7-9-28)14-19-15-29-13-17(24)2-5-22(29)25-19/h2-5,12-13,15-16H,6-11,14H2,1H3,(H,26,30)/t16-/m0/s1.
What are the key properties of (2S)-2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
(2S)-2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 455.95 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 97204369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).