3-[[4-[6-bromo-2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

C19H21BrN8O — CID 70789751

IUPAC3-[[4-[6-bromo-2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(c3c(Br)cnc4nc(-c5cncn5C)[nH]c34)CC2)no1
InChIInChI=1S/C19H21BrN8O/c1-12-7-13(25-29-12)10-27-3-5-28(6-4-27)17-14(20)8-22-19-16(17)23-18(24-19)15-9-21-11-26(15)2/h7-9,11H,3-6,10H2,1-2H3,(H,22,23,24)
InChIKeyQWRJMSZUKHRINI-UHFFFAOYSA-N
MW457.34 g/mol
LogP2.74
Rot. Bonds4

About 3-[[4-[6-bromo-2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

3-[[4-[6-bromo-2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 70789751) has the molecular formula C19H21BrN8O and a molecular weight of 457.34 g/mol. Its IUPAC name is 3-[[4-[6-bromo-2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[6-bromo-2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID70789751
Molecular FormulaC19H21BrN8O
Molecular Weight457.34 g/mol
Exact Mass456.10
IUPAC Name3-[[4-[6-bromo-2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(c3c(Br)cnc4nc(-c5cncn5C)[nH]c34)CC2)no1
InChIInChI=1S/C19H21BrN8O/c1-12-7-13(25-29-12)10-27-3-5-28(6-4-27)17-14(20)8-22-19-16(17)23-18(24-19)15-9-21-11-26(15)2/h7-9,11H,3-6,10H2,1-2H3,(H,22,23,24)
InChIKeyQWRJMSZUKHRINI-UHFFFAOYSA-N
XLogP2.74
TPSA91.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[4-[6-bromo-2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole with MolForge

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Related Compounds

3-((4-(6-bromo-2-(4-(4-methylpiperazin-1-yl)phenyl)-3H-imidazo(4,5-b)pyridin-7-yl)piperazin-1-yl)methyl)-5-methylisoxazole
CID 25154041
3-[[4-[6-bromo-2-(4-piperazin-1-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 25153624
(4-(6-Bromo-7-(4-((5-methylisoxazol-3-yl)methyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)phenyl)methanamine
CID 25153836
1-[4-[6-bromo-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine
CID 25153837
6-Bromo-2-(4-methoxy-phenyl)-7-[4-(5-methyl-isoxazol-3-ylmethyl)-piperazin-1-yl]-3H-imidazo[4,5-b]pyridine
CID 46866788
6-Bromo-7-[4-(5-methyl-isoxazol-3-ylmethyl)-piperazin-1-yl]-2-(4-morpholin-4-ylmethyl-phenyl)-3H-imidazo[4,5-b]pyridine
CID 46867128
3-((4-(2-(4-((1H-pyrazol-1-yl)methyl)phenyl)-6-bromo-3H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)methyl)-5-methylisoxazole
CID 46868087
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887098
4-N-(1,2-oxazol-3-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887700
5-[(3-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334971
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)pyridin-2-yl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334974
4-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334975

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[6-bromo-2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-[6-bromo-2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 70789751) is 3-[[4-[6-bromo-2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-[6-bromo-2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-[6-bromo-2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CCN(c3c(Br)cnc4nc(-c5cncn5C)[nH]c34)CC2)no1.
What is the InChIKey of 3-[[4-[6-bromo-2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is QWRJMSZUKHRINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN8O/c1-12-7-13(25-29-12)10-27-3-5-28(6-4-27)17-14(20)8-22-19-16(17)23-18(24-19)15-9-21-11-26(15)2/h7-9,11H,3-6,10H2,1-2H3,(H,22,23,24).
What are the key properties of 3-[[4-[6-bromo-2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[4-[6-bromo-2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 457.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[6-bromo-2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 70789751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).