7-methyl-2-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine

C23H22N8 — CID 19889336

IUPAC7-methyl-2-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H22N8/c1-3-4-20-26-21-15(2)9-12-25-23(21)31(20)14-16-5-7-17(8-6-16)18-10-11-24-13-19(18)22-27-29-30-28-22/h5-13H,3-4,14H2,1-2H3,(H,27,28,29,30)
InChIKeyCDOWRMOHWAEIPQ-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.98
Rot. Bonds6

About 7-methyl-2-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine

7-methyl-2-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine (PubChem CID 19889336) has the molecular formula C23H22N8 and a molecular weight of 410.49 g/mol. Its IUPAC name is 7-methyl-2-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-methyl-2-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine
PubChem CID19889336
Molecular FormulaC23H22N8
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name7-methyl-2-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H22N8/c1-3-4-20-26-21-15(2)9-12-25-23(21)31(20)14-16-5-7-17(8-6-16)18-10-11-24-13-19(18)22-27-29-30-28-22/h5-13H,3-4,14H2,1-2H3,(H,27,28,29,30)
InChIKeyCDOWRMOHWAEIPQ-UHFFFAOYSA-N
XLogP3.98
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 7-methyl-2-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine (CID 19889336) is 7-methyl-2-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-methyl-2-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 7-methyl-2-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine is CCCc1nc2c(C)ccnc2n1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1.
What is the InChIKey of 7-methyl-2-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is CDOWRMOHWAEIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8/c1-3-4-20-26-21-15(2)9-12-25-23(21)31(20)14-16-5-7-17(8-6-16)18-10-11-24-13-19(18)22-27-29-30-28-22/h5-13H,3-4,14H2,1-2H3,(H,27,28,29,30).
What are the key properties of 7-methyl-2-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine?
7-methyl-2-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 410.49 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 19889336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).