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

C23H25ClN8 — CID 19759288

IUPAC7-methyl-3-[[4-[2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-2-propylimidazo[4,5-b]pyridine;hydrochloride
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(-n2c(C)ccc2-c2nn[nH]n2)cc1.Cl
InChIInChI=1S/C23H24N8.ClH/c1-4-5-20-25-21-15(2)12-13-24-23(21)30(20)14-17-7-9-18(10-8-17)31-16(3)6-11-19(31)22-26-28-29-27-22;/h6-13H,4-5,14H2,1-3H3,(H,26,27,28,29);1H
InChIKeyMEPMWENLEOIZPF-UHFFFAOYSA-N
MW448.96 g/mol
LogP4.44
Rot. Bonds6

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

7-methyl-3-[[4-[2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-2-propylimidazo[4,5-b]pyridine;hydrochloride (PubChem CID 19759288) has the molecular formula C23H25ClN8 and a molecular weight of 448.96 g/mol. Its IUPAC name is 7-methyl-3-[[4-[2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-2-propylimidazo[4,5-b]pyridine;hydrochloride.

Molecular Properties

Compound Name7-methyl-3-[[4-[2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-2-propylimidazo[4,5-b]pyridine;hydrochloride
PubChem CID19759288
Molecular FormulaC23H25ClN8
Molecular Weight448.96 g/mol
Exact Mass448.19
IUPAC Name7-methyl-3-[[4-[2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-2-propylimidazo[4,5-b]pyridine;hydrochloride
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(-n2c(C)ccc2-c2nn[nH]n2)cc1.Cl
InChIInChI=1S/C23H24N8.ClH/c1-4-5-20-25-21-15(2)12-13-24-23(21)30(20)14-17-7-9-18(10-8-17)31-16(3)6-11-19(31)22-26-28-29-27-22;/h6-13H,4-5,14H2,1-3H3,(H,26,27,28,29);1H
InChIKeyMEPMWENLEOIZPF-UHFFFAOYSA-N
XLogP4.44
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.96
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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-[2-bromo-1-methyl-4-(2H-tetrazol-5-yl)pyrrol-3-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine
CID 19759296
2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19010870
5-[1-[4-[(5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-methylpyrrol-2-yl]-2H-tetrazole
CID 18994678
7-(4-methylphenyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 154422744
2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19889371
5-[1-[4-[(3-butyl-5-chloro-1,2,4-triazol-1-yl)methyl]phenyl]-5-methylpyrrol-2-yl]-2H-tetrazole
CID 18995045
2-(2-chloroethyl)-7-methyl-3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridine
CID 79276456
5-[5-bromo-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole
CID 18426071
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
5-[5-chloro-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole
CID 18425994

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[[4-[2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-2-propylimidazo[4,5-b]pyridine;hydrochloride?
The IUPAC name of 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) is 7-methyl-3-[[4-[2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-2-propylimidazo[4,5-b]pyridine;hydrochloride.
What is the SMILES notation for 7-methyl-3-[[4-[2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-2-propylimidazo[4,5-b]pyridine;hydrochloride?
The canonical SMILES for 7-methyl-3-[[4-[2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-2-propylimidazo[4,5-b]pyridine;hydrochloride is CCCc1nc2c(C)ccnc2n1Cc1ccc(-n2c(C)ccc2-c2nn[nH]n2)cc1.Cl.
What is the InChIKey of 7-methyl-3-[[4-[2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-2-propylimidazo[4,5-b]pyridine;hydrochloride?
The InChIKey is MEPMWENLEOIZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8.ClH/c1-4-5-20-25-21-15(2)12-13-24-23(21)30(20)14-17-7-9-18(10-8-17)31-16(3)6-11-19(31)22-26-28-29-27-22;/h6-13H,4-5,14H2,1-3H3,(H,26,27,28,29);1H.
What are the key properties of 7-methyl-3-[[4-[2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-2-propylimidazo[4,5-b]pyridine;hydrochloride?
7-methyl-3-[[4-[2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-2-propylimidazo[4,5-b]pyridine;hydrochloride has a molecular weight of 448.96 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[[4-[2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-2-propylimidazo[4,5-b]pyridine;hydrochloride is sourced from PubChem (CID 19759288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).