3-[[4-[2-bromo-1-methyl-4-(2H-tetrazol-5-yl)pyrrol-3-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine

C23H23BrN8 — CID 19759296

IUPAC3-[[4-[2-bromo-1-methyl-4-(2H-tetrazol-5-yl)pyrrol-3-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(-c2c(-c3nn[nH]n3)cn(C)c2Br)cc1
InChIInChI=1S/C23H23BrN8/c1-4-5-18-26-20-14(2)10-11-25-23(20)32(18)12-15-6-8-16(9-7-15)19-17(13-31(3)21(19)24)22-27-29-30-28-22/h6-11,13H,4-5,12H2,1-3H3,(H,27,28,29,30)
InChIKeyOKWDGFYICGKJRP-UHFFFAOYSA-N
MW491.40 g/mol
LogP4.69
Rot. Bonds6

About 3-[[4-[2-bromo-1-methyl-4-(2H-tetrazol-5-yl)pyrrol-3-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine

3-[[4-[2-bromo-1-methyl-4-(2H-tetrazol-5-yl)pyrrol-3-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine (PubChem CID 19759296) has the molecular formula C23H23BrN8 and a molecular weight of 491.40 g/mol. Its IUPAC name is 3-[[4-[2-bromo-1-methyl-4-(2H-tetrazol-5-yl)pyrrol-3-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[[4-[2-bromo-1-methyl-4-(2H-tetrazol-5-yl)pyrrol-3-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine
PubChem CID19759296
Molecular FormulaC23H23BrN8
Molecular Weight491.40 g/mol
Exact Mass490.12
IUPAC Name3-[[4-[2-bromo-1-methyl-4-(2H-tetrazol-5-yl)pyrrol-3-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(-c2c(-c3nn[nH]n3)cn(C)c2Br)cc1
InChIInChI=1S/C23H23BrN8/c1-4-5-18-26-20-14(2)10-11-25-23(20)32(18)12-15-6-8-16(9-7-15)19-17(13-31(3)21(19)24)22-27-29-30-28-22/h6-11,13H,4-5,12H2,1-3H3,(H,27,28,29,30)
InChIKeyOKWDGFYICGKJRP-UHFFFAOYSA-N
XLogP4.69
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-[5-bromo-1-methyl-4-(2H-tetrazol-5-yl)pyrrol-3-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine
CID 19759466
3-[[4-[1,5-dimethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine
CID 19759565
2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19010870
7-(4-methylphenyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 154422744
7-methyl-3-[[4-[2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-2-propylimidazo[4,5-b]pyridine;hydrochloride
CID 19759288
2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19889371
3-[[4-[5-chloro-1-methyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-2-propylimidazo[4,5-b]pyridine
CID 19759365
3-[[4-[1-ethyl-5-methyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-2-propylimidazo[4,5-b]pyridine
CID 19759431
4-bromo-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propylpyrrole-3-carbonitrile
CID 19759536
7-methyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine
CID 131717247
2-(2-chloroethyl)-7-methyl-3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridine
CID 79276456
3-[(4-bromophenyl)methyl]-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276187

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-bromo-1-methyl-4-(2H-tetrazol-5-yl)pyrrol-3-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[[4-[2-bromo-1-methyl-4-(2H-tetrazol-5-yl)pyrrol-3-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine (CID 19759296) is 3-[[4-[2-bromo-1-methyl-4-(2H-tetrazol-5-yl)pyrrol-3-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[[4-[2-bromo-1-methyl-4-(2H-tetrazol-5-yl)pyrrol-3-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[[4-[2-bromo-1-methyl-4-(2H-tetrazol-5-yl)pyrrol-3-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine is CCCc1nc2c(C)ccnc2n1Cc1ccc(-c2c(-c3nn[nH]n3)cn(C)c2Br)cc1.
What is the InChIKey of 3-[[4-[2-bromo-1-methyl-4-(2H-tetrazol-5-yl)pyrrol-3-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine?
The InChIKey is OKWDGFYICGKJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN8/c1-4-5-18-26-20-14(2)10-11-25-23(20)32(18)12-15-6-8-16(9-7-15)19-17(13-31(3)21(19)24)22-27-29-30-28-22/h6-11,13H,4-5,12H2,1-3H3,(H,27,28,29,30).
What are the key properties of 3-[[4-[2-bromo-1-methyl-4-(2H-tetrazol-5-yl)pyrrol-3-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine?
3-[[4-[2-bromo-1-methyl-4-(2H-tetrazol-5-yl)pyrrol-3-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine has a molecular weight of 491.40 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-bromo-1-methyl-4-(2H-tetrazol-5-yl)pyrrol-3-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine is sourced from PubChem (CID 19759296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).