2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine

C23H22N8 — CID 154422383

IUPAC2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine
SMILESCCc1nc2c(C)cc(N)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H22N8/c1-3-20-26-21-14(2)12-19(24)25-23(21)31(20)13-15-8-10-16(11-9-15)17-6-4-5-7-18(17)22-27-29-30-28-22/h4-12H,3,13H2,1-2H3,(H2,24,25)(H,27,28,29,30)
InChIKeyIPBOPAQTXLCBKQ-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.78
Rot. Bonds5

About 2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine

2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine (PubChem CID 154422383) has the molecular formula C23H22N8 and a molecular weight of 410.49 g/mol. Its IUPAC name is 2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine
PubChem CID154422383
Molecular FormulaC23H22N8
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine
SMILESCCc1nc2c(C)cc(N)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H22N8/c1-3-20-26-21-14(2)12-19(24)25-23(21)31(20)13-15-8-10-16(11-9-15)17-6-4-5-7-18(17)22-27-29-30-28-22/h4-12H,3,13H2,1-2H3,(H2,24,25)(H,27,28,29,30)
InChIKeyIPBOPAQTXLCBKQ-UHFFFAOYSA-N
XLogP3.78
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine (CID 154422383) is 2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine is CCc1nc2c(C)cc(N)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine?
The InChIKey is IPBOPAQTXLCBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8/c1-3-20-26-21-14(2)12-19(24)25-23(21)31(20)13-15-8-10-16(11-9-15)17-6-4-5-7-18(17)22-27-29-30-28-22/h4-12H,3,13H2,1-2H3,(H2,24,25)(H,27,28,29,30).
What are the key properties of 2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine?
2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine has a molecular weight of 410.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 154422383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).