N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide

C24H30N6O5 — CID 4273533

IUPACN-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide
SMILESCOc1ccc(OCN2CCN(C(=O)CCC(=O)Nc3ccc4c(n3)n(C)c(=O)n4C)CC2)cc1
InChIInChI=1S/C24H30N6O5/c1-27-19-8-9-20(26-23(19)28(2)24(27)33)25-21(31)10-11-22(32)30-14-12-29(13-15-30)16-35-18-6-4-17(34-3)5-7-18/h4-9H,10-16H2,1-3H3,(H,25,26,31)
InChIKeyKKVOMXDMXQVNRK-UHFFFAOYSA-N
MW482.54 g/mol
LogP1.18
Rot. Bonds8

About N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide

N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide (PubChem CID 4273533) has the molecular formula C24H30N6O5 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide
PubChem CID4273533
Molecular FormulaC24H30N6O5
Molecular Weight482.54 g/mol
Exact Mass482.23
IUPAC NameN-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide
SMILESCOc1ccc(OCN2CCN(C(=O)CCC(=O)Nc3ccc4c(n3)n(C)c(=O)n4C)CC2)cc1
InChIInChI=1S/C24H30N6O5/c1-27-19-8-9-20(26-23(19)28(2)24(27)33)25-21(31)10-11-22(32)30-14-12-29(13-15-30)16-35-18-6-4-17(34-3)5-7-18/h4-9H,10-16H2,1-3H3,(H,25,26,31)
InChIKeyKKVOMXDMXQVNRK-UHFFFAOYSA-N
XLogP1.18
TPSA110.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide
CID 3893820
N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-4-oxobutanamide
CID 5107241
N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-4-oxobutanamide
CID 75277364
4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide
CID 86278510
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113074785
4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-4-oxobutanamide
CID 86278509
4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide
CID 7602926
3-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide
CID 108944606
2-[3-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]sulfanylacetamide
CID 30828050
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-(4-methoxyphenyl)-1-methylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 53116142
1-(4-benzylpiperidin-1-yl)-4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]butane-1,4-dione
CID 86278511
N-(2-chlorophenyl)-2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9020660

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide?
The IUPAC name of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide (CID 4273533) is N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide is COc1ccc(OCN2CCN(C(=O)CCC(=O)Nc3ccc4c(n3)n(C)c(=O)n4C)CC2)cc1.
What is the InChIKey of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide?
The InChIKey is KKVOMXDMXQVNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O5/c1-27-19-8-9-20(26-23(19)28(2)24(27)33)25-21(31)10-11-22(32)30-14-12-29(13-15-30)16-35-18-6-4-17(34-3)5-7-18/h4-9H,10-16H2,1-3H3,(H,25,26,31).
What are the key properties of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide?
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide has a molecular weight of 482.54 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 4273533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).