2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylimidazo[4,5-b]pyridine

C18H29N5 — CID 146328470

IUPAC2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylimidazo[4,5-b]pyridine
SMILESCCCC(c1nc2cccnc2n1CC)N1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C18H29N5/c1-5-8-16(22-11-13(3)20-14(4)12-22)18-21-15-9-7-10-19-17(15)23(18)6-2/h7,9-10,13-14,16,20H,5-6,8,11-12H2,1-4H3/t13-,14+,16?
InChIKeyPYROCYCYRCLSEG-MZBDJJRSSA-N
MW315.46 g/mol
LogP2.97
Rot. Bonds5

About 2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylimidazo[4,5-b]pyridine

2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylimidazo[4,5-b]pyridine (PubChem CID 146328470) has the molecular formula C18H29N5 and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylimidazo[4,5-b]pyridine
PubChem CID146328470
Molecular FormulaC18H29N5
Molecular Weight315.46 g/mol
Exact Mass315.24
IUPAC Name2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylimidazo[4,5-b]pyridine
SMILESCCCC(c1nc2cccnc2n1CC)N1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C18H29N5/c1-5-8-16(22-11-13(3)20-14(4)12-22)18-21-15-9-7-10-19-17(15)23(18)6-2/h7,9-10,13-14,16,20H,5-6,8,11-12H2,1-4H3/t13-,14+,16?
InChIKeyPYROCYCYRCLSEG-MZBDJJRSSA-N
XLogP2.97
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylimidazo[4,5-b]pyridine with MolForge

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Related Compounds

3-[4-(dimethylamino)-1-[2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylimidazo[4,5-b]pyridin-6-yl]piperidin-4-yl]phenol
CID 146328438
ethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate
CID 79474968
1-[[2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-1-ethylbenzimidazol-5-yl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine
CID 146626870
1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylbutan-1-amine
CID 63758341
3-ethyl-2-methylimidazo[4,5-b]pyridine
CID 23298284
N-[2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethyl-4-oxoquinazolin-6-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 151933583
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4,4-dimethylpentan-1-amine
CID 107473033
3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166348
3-ethyl-6-methyl-2-[(1S)-1-[(3S)-3-methyl-1,4-diazepan-1-yl]butyl]quinazolin-4-one
CID 166046834
6,7-dichloro-3-ethyl-2-[1-[(3S)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one
CID 156783752
2-butyl-3-ethylimidazo[4,5-b]pyridine
CID 150562237
N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]cyclopropanecarboxamide
CID 16674902

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylimidazo[4,5-b]pyridine (CID 146328470) is 2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylimidazo[4,5-b]pyridine is CCCC(c1nc2cccnc2n1CC)N1C[C@@H](C)N[C@@H](C)C1.
What is the InChIKey of 2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylimidazo[4,5-b]pyridine?
The InChIKey is PYROCYCYRCLSEG-MZBDJJRSSA-N. The full InChI is InChI=1S/C18H29N5/c1-5-8-16(22-11-13(3)20-14(4)12-22)18-21-15-9-7-10-19-17(15)23(18)6-2/h7,9-10,13-14,16,20H,5-6,8,11-12H2,1-4H3/t13-,14+,16?.
What are the key properties of 2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylimidazo[4,5-b]pyridine?
2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylimidazo[4,5-b]pyridine has a molecular weight of 315.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylimidazo[4,5-b]pyridine is sourced from PubChem (CID 146328470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).