N-(2-ethoxyphenyl)-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide

C26H29N7O2 — CID 46389515

IUPACN-(2-ethoxyphenyl)-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(CCn2c(-c3ccncc3)nc3cccnc32)CC1
InChIInChI=1S/C26H29N7O2/c1-2-35-23-8-4-3-6-21(23)30-26(34)32-17-14-31(15-18-32)16-19-33-24(20-9-12-27-13-10-20)29-22-7-5-11-28-25(22)33/h3-13H,2,14-19H2,1H3,(H,30,34)
InChIKeyFGNSINMLVXOHIU-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.74
Rot. Bonds7

About N-(2-ethoxyphenyl)-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide

N-(2-ethoxyphenyl)-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide (PubChem CID 46389515) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
PubChem CID46389515
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC NameN-(2-ethoxyphenyl)-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(CCn2c(-c3ccncc3)nc3cccnc32)CC1
InChIInChI=1S/C26H29N7O2/c1-2-35-23-8-4-3-6-21(23)30-26(34)32-17-14-31(15-18-32)16-19-33-24(20-9-12-27-13-10-20)29-22-7-5-11-28-25(22)33/h3-13H,2,14-19H2,1H3,(H,30,34)
InChIKeyFGNSINMLVXOHIU-UHFFFAOYSA-N
XLogP3.74
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
CID 46389453
N-phenyl-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 46389499
N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
CID 46389455
4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 46389560
N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561867
N-(2,4-dimethoxyphenyl)-4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 46389548
N-(3-methylbutyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
CID 46389486
1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021931
N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375427
N-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 50831420
4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 46389546
1-(2-methoxyphenyl)-3-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021888

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide (CID 46389515) is N-(2-ethoxyphenyl)-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCN(CCn2c(-c3ccncc3)nc3cccnc32)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is FGNSINMLVXOHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-2-35-23-8-4-3-6-21(23)30-26(34)32-17-14-31(15-18-32)16-19-33-24(20-9-12-27-13-10-20)29-22-7-5-11-28-25(22)33/h3-13H,2,14-19H2,1H3,(H,30,34).
What are the key properties of N-(2-ethoxyphenyl)-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
N-(2-ethoxyphenyl)-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 471.57 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 46389515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).