3-[[4-[5-cycloheptyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine

C31H35N7 — CID 138707098

IUPAC3-[[4-[5-cycloheptyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(C3CCCCCC3)ccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C31H35N7/c1-4-28-33-29-20(2)17-21(3)32-31(29)38(28)19-22-11-13-24(14-12-22)27-18-25(23-9-7-5-6-8-10-23)15-16-26(27)30-34-36-37-35-30/h11-18,23H,4-10,19H2,1-3H3,(H,34,35,36,37)
InChIKeyRXTNCIWXCBIOMR-UHFFFAOYSA-N
MW505.67 g/mol
LogP6.94
Rot. Bonds6

About 3-[[4-[5-cycloheptyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine

3-[[4-[5-cycloheptyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine (PubChem CID 138707098) has the molecular formula C31H35N7 and a molecular weight of 505.67 g/mol. Its IUPAC name is 3-[[4-[5-cycloheptyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[[4-[5-cycloheptyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine
PubChem CID138707098
Molecular FormulaC31H35N7
Molecular Weight505.67 g/mol
Exact Mass505.30
IUPAC Name3-[[4-[5-cycloheptyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(C3CCCCCC3)ccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C31H35N7/c1-4-28-33-29-20(2)17-21(3)32-31(29)38(28)19-22-11-13-24(14-12-22)27-18-25(23-9-7-5-6-8-10-23)15-16-26(27)30-34-36-37-35-30/h11-18,23H,4-10,19H2,1-3H3,(H,34,35,36,37)
InChIKeyRXTNCIWXCBIOMR-UHFFFAOYSA-N
XLogP6.94
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.67
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-ethyl-3-[[4-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine
CID 154422399
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
3-[[4-[5-(3,3-difluoropiperidin-1-yl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine
CID 138744400
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
2-ethyl-3-[[4-[5-(2-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine
CID 138707097
5-chloro-2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22418052
2-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)phenoxy]pyridin-4-amine
CID 138744288
2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine
CID 154422383
2-ethyl-7-methoxy-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 154480338
2-ethyl-5,7-dimethyl-3-[[4-[3-methyl-5-phenoxy-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 138707080
2-ethoxy-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 15288822

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[5-cycloheptyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[[4-[5-cycloheptyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine (CID 138707098) is 3-[[4-[5-cycloheptyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[[4-[5-cycloheptyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[[4-[5-cycloheptyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(C3CCCCCC3)ccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 3-[[4-[5-cycloheptyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine?
The InChIKey is RXTNCIWXCBIOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7/c1-4-28-33-29-20(2)17-21(3)32-31(29)38(28)19-22-11-13-24(14-12-22)27-18-25(23-9-7-5-6-8-10-23)15-16-26(27)30-34-36-37-35-30/h11-18,23H,4-10,19H2,1-3H3,(H,34,35,36,37).
What are the key properties of 3-[[4-[5-cycloheptyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine?
3-[[4-[5-cycloheptyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine has a molecular weight of 505.67 g/mol, XLogP of 6.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[5-cycloheptyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine is sourced from PubChem (CID 138707098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).