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

C23H23ClN8 — CID 19759420

IUPAC2-butyl-3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine
SMILESCCCCc1nc2c(C)ccnc2n1Cc1ccc(-n2cc(Cl)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H23ClN8/c1-3-4-5-20-26-21-15(2)10-11-25-23(21)32(20)13-16-6-8-18(9-7-16)31-14-17(24)12-19(31)22-27-29-30-28-22/h6-12,14H,3-5,13H2,1-2H3,(H,27,28,29,30)
InChIKeySUCACHBVGZPQIJ-UHFFFAOYSA-N
MW446.95 g/mol
LogP4.75
Rot. Bonds7

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

2-butyl-3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine (PubChem CID 19759420) has the molecular formula C23H23ClN8 and a molecular weight of 446.95 g/mol. Its IUPAC name is 2-butyl-3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-butyl-3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine
PubChem CID19759420
Molecular FormulaC23H23ClN8
Molecular Weight446.95 g/mol
Exact Mass446.17
IUPAC Name2-butyl-3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine
SMILESCCCCc1nc2c(C)ccnc2n1Cc1ccc(-n2cc(Cl)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H23ClN8/c1-3-4-5-20-26-21-15(2)10-11-25-23(21)32(20)13-16-6-8-18(9-7-16)31-14-17(24)12-19(31)22-27-29-30-28-22/h6-12,14H,3-5,13H2,1-2H3,(H,27,28,29,30)
InChIKeySUCACHBVGZPQIJ-UHFFFAOYSA-N
XLogP4.75
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.95
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-butyl-3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine (CID 19759420) is 2-butyl-3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-butyl-3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-butyl-3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine is CCCCc1nc2c(C)ccnc2n1Cc1ccc(-n2cc(Cl)cc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-butyl-3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine?
The InChIKey is SUCACHBVGZPQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN8/c1-3-4-5-20-26-21-15(2)10-11-25-23(21)32(20)13-16-6-8-18(9-7-16)31-14-17(24)12-19(31)22-27-29-30-28-22/h6-12,14H,3-5,13H2,1-2H3,(H,27,28,29,30).
What are the key properties of 2-butyl-3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine?
2-butyl-3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine has a molecular weight of 446.95 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 19759420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).