6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine

C26H28N6O — CID 25151030

IUPAC6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2nc3ncc(C4CC4)c(N4CCN(Cc5cccnc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C26H28N6O/c1-33-21-8-6-20(7-9-21)25-29-23-24(22(19-4-5-19)16-28-26(23)30-25)32-13-11-31(12-14-32)17-18-3-2-10-27-15-18/h2-3,6-10,15-16,19H,4-5,11-14,17H2,1H3,(H,28,29,30)
InChIKeyQFLCYKLLBNLNEV-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.23
Rot. Bonds6

About 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine

6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 25151030) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID25151030
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2nc3ncc(C4CC4)c(N4CCN(Cc5cccnc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C26H28N6O/c1-33-21-8-6-20(7-9-21)25-29-23-24(22(19-4-5-19)16-28-26(23)30-25)32-13-11-31(12-14-32)17-18-3-2-10-27-15-18/h2-3,6-10,15-16,19H,4-5,11-14,17H2,1H3,(H,28,29,30)
InChIKeyQFLCYKLLBNLNEV-UHFFFAOYSA-N
XLogP4.23
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine (CID 25151030) is 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine is COc1ccc(-c2nc3ncc(C4CC4)c(N4CCN(Cc5cccnc5)CC4)c3[nH]2)cc1.
What is the InChIKey of 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is QFLCYKLLBNLNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-33-21-8-6-20(7-9-21)25-29-23-24(22(19-4-5-19)16-28-26(23)30-25)32-13-11-31(12-14-32)17-18-3-2-10-27-15-18/h2-3,6-10,15-16,19H,4-5,11-14,17H2,1H3,(H,28,29,30).
What are the key properties of 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 440.55 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 25151030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).