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

C24H25ClN8 — CID 19759365

IUPAC3-[[4-[5-chloro-1-methyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-2-propylimidazo[4,5-b]pyridine
SMILESCCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(-c3nn[nH]n3)cc(Cl)n2C)cc1
InChIInChI=1S/C24H25ClN8/c1-5-6-20-27-21-14(2)11-15(3)26-24(21)33(20)13-16-7-9-17(10-8-16)22-18(12-19(25)32(22)4)23-28-30-31-29-23/h7-12H,5-6,13H2,1-4H3,(H,28,29,30,31)
InChIKeyNHEWICFRJFANIO-UHFFFAOYSA-N
MW460.97 g/mol
LogP4.89
Rot. Bonds6

About 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

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 (PubChem CID 19759365) has the molecular formula C24H25ClN8 and a molecular weight of 460.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[[4-[5-chloro-1-methyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-2-propylimidazo[4,5-b]pyridine
PubChem CID19759365
Molecular FormulaC24H25ClN8
Molecular Weight460.97 g/mol
Exact Mass460.19
IUPAC Name3-[[4-[5-chloro-1-methyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-2-propylimidazo[4,5-b]pyridine
SMILESCCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(-c3nn[nH]n3)cc(Cl)n2C)cc1
InChIInChI=1S/C24H25ClN8/c1-5-6-20-27-21-14(2)11-15(3)26-24(21)33(20)13-16-7-9-17(10-8-16)22-18(12-19(25)32(22)4)23-28-30-31-29-23/h7-12H,5-6,13H2,1-4H3,(H,28,29,30,31)
InChIKeyNHEWICFRJFANIO-UHFFFAOYSA-N
XLogP4.89
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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-ethyl-3-[[4-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine
CID 154422399
2-[4-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-ethyl-1-methylpyrrole-3-carbonitrile
CID 154446585
5-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 10390188
5,7-dimethyl-2-propoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22067356
2-ethyl-5,7-dimethyl-3-[[4-[5-(6-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 138743972
2-ethoxy-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 15288822
5-chloro-2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22418052
7-(4-methylphenyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 154422744
2-ethyl-5,7-dimethyl-3-[[4-[5-pyridin-3-yl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 138743488
4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
CID 138743833

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(-c3nn[nH]n3)cc(Cl)n2C)cc1.
What is the InChIKey of 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?
The InChIKey is NHEWICFRJFANIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN8/c1-5-6-20-27-21-14(2)11-15(3)26-24(21)33(20)13-16-7-9-17(10-8-16)22-18(12-19(25)32(22)4)23-28-30-31-29-23/h7-12H,5-6,13H2,1-4H3,(H,28,29,30,31).
What are the key properties of 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?
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 has a molecular weight of 460.97 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 19759365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).