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

C24H26N8 — CID 19759565

IUPAC3-[[4-[1,5-dimethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(-c2c(-c3nn[nH]n3)cc(C)n2C)cc1
InChIInChI=1S/C24H26N8/c1-5-6-20-26-21-15(2)11-12-25-24(21)32(20)14-17-7-9-18(10-8-17)22-19(13-16(3)31(22)4)23-27-29-30-28-23/h7-13H,5-6,14H2,1-4H3,(H,27,28,29,30)
InChIKeyVCISCTYSCLIFMX-UHFFFAOYSA-N
MW426.53 g/mol
LogP4.23
Rot. Bonds6

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

3-[[4-[1,5-dimethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine (PubChem CID 19759565) has the molecular formula C24H26N8 and a molecular weight of 426.53 g/mol. Its IUPAC name is 3-[[4-[1,5-dimethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[[4-[1,5-dimethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine
PubChem CID19759565
Molecular FormulaC24H26N8
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name3-[[4-[1,5-dimethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(-c2c(-c3nn[nH]n3)cc(C)n2C)cc1
InChIInChI=1S/C24H26N8/c1-5-6-20-26-21-15(2)11-12-25-24(21)32(20)14-17-7-9-18(10-8-17)22-19(13-16(3)31(22)4)23-27-29-30-28-23/h7-13H,5-6,14H2,1-4H3,(H,27,28,29,30)
InChIKeyVCISCTYSCLIFMX-UHFFFAOYSA-N
XLogP4.23
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19010870
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
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
7-(4-methylphenyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 154422744
3-[[4-[1-ethyl-5-methyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-2-ethylsulfanyl-7-methylimidazo[4,5-b]pyridine
CID 18961913
2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19889371
2-(2-chloroethyl)-7-methyl-3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridine
CID 79276456
2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propan-2-ylpyrrole-3-carbonitrile
CID 19759460
4-methyl-2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
CID 10480536

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1,5-dimethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine?
The IUPAC name of 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) is 3-[[4-[1,5-dimethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[[4-[1,5-dimethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[[4-[1,5-dimethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine is CCCc1nc2c(C)ccnc2n1Cc1ccc(-c2c(-c3nn[nH]n3)cc(C)n2C)cc1.
What is the InChIKey of 3-[[4-[1,5-dimethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine?
The InChIKey is VCISCTYSCLIFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8/c1-5-6-20-26-21-15(2)11-12-25-24(21)32(20)14-17-7-9-18(10-8-17)22-19(13-16(3)31(22)4)23-27-29-30-28-23/h7-13H,5-6,14H2,1-4H3,(H,27,28,29,30).
What are the key properties of 3-[[4-[1,5-dimethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine?
3-[[4-[1,5-dimethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine has a molecular weight of 426.53 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[1,5-dimethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine is sourced from PubChem (CID 19759565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).