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

C23H23ClN8 — CID 19759294

IUPAC3-[[4-[3-chloro-2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(-n2c(-c3nn[nH]n3)cc(Cl)c2C)cc1
InChIInChI=1S/C23H23ClN8/c1-4-5-20-26-21-14(2)10-11-25-23(21)31(20)13-16-6-8-17(9-7-16)32-15(3)18(24)12-19(32)22-27-29-30-28-22/h6-12H,4-5,13H2,1-3H3,(H,27,28,29,30)
InChIKeyLGJSDDZLHLMUSU-UHFFFAOYSA-N
MW446.95 g/mol
LogP4.67
Rot. Bonds6

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

3-[[4-[3-chloro-2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine (PubChem CID 19759294) has the molecular formula C23H23ClN8 and a molecular weight of 446.95 g/mol. Its IUPAC name is 3-[[4-[3-chloro-2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[[4-[3-chloro-2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine
PubChem CID19759294
Molecular FormulaC23H23ClN8
Molecular Weight446.95 g/mol
Exact Mass446.17
IUPAC Name3-[[4-[3-chloro-2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(-n2c(-c3nn[nH]n3)cc(Cl)c2C)cc1
InChIInChI=1S/C23H23ClN8/c1-4-5-20-26-21-14(2)10-11-25-23(21)31(20)13-16-6-8-17(9-7-16)32-15(3)18(24)12-19(32)22-27-29-30-28-22/h6-12H,4-5,13H2,1-3H3,(H,27,28,29,30)
InChIKeyLGJSDDZLHLMUSU-UHFFFAOYSA-N
XLogP4.67
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.95
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-chloro-2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[[4-[3-chloro-2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine (CID 19759294) is 3-[[4-[3-chloro-2-methyl-5-(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-[3-chloro-2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[[4-[3-chloro-2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine is CCCc1nc2c(C)ccnc2n1Cc1ccc(-n2c(-c3nn[nH]n3)cc(Cl)c2C)cc1.
What is the InChIKey of 3-[[4-[3-chloro-2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine?
The InChIKey is LGJSDDZLHLMUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN8/c1-4-5-20-26-21-14(2)10-11-25-23(21)31(20)13-16-6-8-17(9-7-16)32-15(3)18(24)12-19(32)22-27-29-30-28-22/h6-12H,4-5,13H2,1-3H3,(H,27,28,29,30).
What are the key properties of 3-[[4-[3-chloro-2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine?
3-[[4-[3-chloro-2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine has a molecular weight of 446.95 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-chloro-2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine is sourced from PubChem (CID 19759294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).