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

C22H21ClN8 — CID 19759363

IUPAC3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(-n2cc(Cl)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C22H21ClN8/c1-3-4-19-25-20-14(2)9-10-24-22(20)31(19)12-15-5-7-17(8-6-15)30-13-16(23)11-18(30)21-26-28-29-27-21/h5-11,13H,3-4,12H2,1-2H3,(H,26,27,28,29)
InChIKeyBNGSXGHVQZHPPV-UHFFFAOYSA-N
MW432.92 g/mol
LogP4.36
Rot. Bonds6

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

3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine (PubChem CID 19759363) has the molecular formula C22H21ClN8 and a molecular weight of 432.92 g/mol. Its IUPAC name is 3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine
PubChem CID19759363
Molecular FormulaC22H21ClN8
Molecular Weight432.92 g/mol
Exact Mass432.16
IUPAC Name3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(-n2cc(Cl)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C22H21ClN8/c1-3-4-19-25-20-14(2)9-10-24-22(20)31(19)12-15-5-7-17(8-6-15)30-13-16(23)11-18(30)21-26-28-29-27-21/h5-11,13H,3-4,12H2,1-2H3,(H,26,27,28,29)
InChIKeyBNGSXGHVQZHPPV-UHFFFAOYSA-N
XLogP4.36
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine (CID 19759363) is 3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine is CCCc1nc2c(C)ccnc2n1Cc1ccc(-n2cc(Cl)cc2-c2nn[nH]n2)cc1.
What is the InChIKey of 3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine?
The InChIKey is BNGSXGHVQZHPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN8/c1-3-4-19-25-20-14(2)9-10-24-22(20)31(19)12-15-5-7-17(8-6-15)30-13-16(23)11-18(30)21-26-28-29-27-21/h5-11,13H,3-4,12H2,1-2H3,(H,26,27,28,29).
What are the key properties of 3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine?
3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine has a molecular weight of 432.92 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine is sourced from PubChem (CID 19759363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).