2-ethyl-3-[[4-[3-(3-ethyl-4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine

C29H41N5 — CID 69005906

IUPAC2-ethyl-3-[[4-[3-(3-ethyl-4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(C=CCN2CCN(C(C)C)C(CC)C2)cc1
InChIInChI=1S/C29H41N5/c1-7-26-20-32(16-17-33(26)21(3)4)15-9-10-24-11-13-25(14-12-24)19-34-27(8-2)31-28-22(5)18-23(6)30-29(28)34/h9-14,18,21,26H,7-8,15-17,19-20H2,1-6H3
InChIKeyRNHZIDMVHJJVBU-UHFFFAOYSA-N
MW459.68 g/mol
LogP5.48
Rot. Bonds8

About 2-ethyl-3-[[4-[3-(3-ethyl-4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine

2-ethyl-3-[[4-[3-(3-ethyl-4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine (PubChem CID 69005906) has the molecular formula C29H41N5 and a molecular weight of 459.68 g/mol. Its IUPAC name is 2-ethyl-3-[[4-[3-(3-ethyl-4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-3-[[4-[3-(3-ethyl-4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine
PubChem CID69005906
Molecular FormulaC29H41N5
Molecular Weight459.68 g/mol
Exact Mass459.34
IUPAC Name2-ethyl-3-[[4-[3-(3-ethyl-4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(C=CCN2CCN(C(C)C)C(CC)C2)cc1
InChIInChI=1S/C29H41N5/c1-7-26-20-32(16-17-33(26)21(3)4)15-9-10-24-11-13-25(14-12-24)19-34-27(8-2)31-28-22(5)18-23(6)30-29(28)34/h9-14,18,21,26H,7-8,15-17,19-20H2,1-6H3
InChIKeyRNHZIDMVHJJVBU-UHFFFAOYSA-N
XLogP5.48
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.68
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[[4-[3-(3-ethyl-4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-3-[[4-[3-(3-ethyl-4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine (CID 69005906) is 2-ethyl-3-[[4-[3-(3-ethyl-4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-3-[[4-[3-(3-ethyl-4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-3-[[4-[3-(3-ethyl-4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(C=CCN2CCN(C(C)C)C(CC)C2)cc1.
What is the InChIKey of 2-ethyl-3-[[4-[3-(3-ethyl-4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine?
The InChIKey is RNHZIDMVHJJVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N5/c1-7-26-20-32(16-17-33(26)21(3)4)15-9-10-24-11-13-25(14-12-24)19-34-27(8-2)31-28-22(5)18-23(6)30-29(28)34/h9-14,18,21,26H,7-8,15-17,19-20H2,1-6H3.
What are the key properties of 2-ethyl-3-[[4-[3-(3-ethyl-4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine?
2-ethyl-3-[[4-[3-(3-ethyl-4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine has a molecular weight of 459.68 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[[4-[3-(3-ethyl-4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine is sourced from PubChem (CID 69005906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).