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

C24H25N7O — CID 46389499

IUPACN-phenyl-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(CCn2c(-c3ccncc3)nc3cccnc32)CC1
InChIInChI=1S/C24H25N7O/c32-24(27-20-5-2-1-3-6-20)30-16-13-29(14-17-30)15-18-31-22(19-8-11-25-12-9-19)28-21-7-4-10-26-23(21)31/h1-12H,13-18H2,(H,27,32)
InChIKeySXCJXPFTVFFWFD-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.34
Rot. Bonds5

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

N-phenyl-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide (PubChem CID 46389499) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is N-phenyl-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
PubChem CID46389499
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC NameN-phenyl-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(CCn2c(-c3ccncc3)nc3cccnc32)CC1
InChIInChI=1S/C24H25N7O/c32-24(27-20-5-2-1-3-6-20)30-16-13-29(14-17-30)15-18-31-22(19-8-11-25-12-9-19)28-21-7-4-10-26-23(21)31/h1-12H,13-18H2,(H,27,32)
InChIKeySXCJXPFTVFFWFD-UHFFFAOYSA-N
XLogP3.34
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 46389515
N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
CID 46389455
N-(2-methoxyphenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
CID 46389453
N-(4-bromophenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 50831448
N-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 50831420
N-(4-bromo-3-methylphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 50831496
N-(3-methylbutyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
CID 46389486
4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 46389546
4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 46389560
N-[(3-fluorophenyl)methyl]-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
CID 46344473
2-phenoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
CID 53004144
N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 44522159

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-phenyl-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide (CID 46389499) is N-phenyl-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-phenyl-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(CCn2c(-c3ccncc3)nc3cccnc32)CC1.
What is the InChIKey of N-phenyl-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is SXCJXPFTVFFWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c32-24(27-20-5-2-1-3-6-20)30-16-13-29(14-17-30)15-18-31-22(19-8-11-25-12-9-19)28-21-7-4-10-26-23(21)31/h1-12H,13-18H2,(H,27,32).
What are the key properties of N-phenyl-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
N-phenyl-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 46389499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).