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

C23H22Cl2N8 — CID 19759584

IUPAC2-butyl-3-[[4-[3,4-dichloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine
SMILESCCCCc1nc2c(C)ccnc2n1Cc1ccc(-n2cc(Cl)c(Cl)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H22Cl2N8/c1-3-4-5-18-27-20-14(2)10-11-26-23(20)33(18)12-15-6-8-16(9-7-15)32-13-17(24)19(25)21(32)22-28-30-31-29-22/h6-11,13H,3-5,12H2,1-2H3,(H,28,29,30,31)
InChIKeyYHZITTMUTAZMLT-UHFFFAOYSA-N
MW481.39 g/mol
LogP5.41
Rot. Bonds7

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

2-butyl-3-[[4-[3,4-dichloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine (PubChem CID 19759584) has the molecular formula C23H22Cl2N8 and a molecular weight of 481.39 g/mol. Its IUPAC name is 2-butyl-3-[[4-[3,4-dichloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-butyl-3-[[4-[3,4-dichloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine
PubChem CID19759584
Molecular FormulaC23H22Cl2N8
Molecular Weight481.39 g/mol
Exact Mass480.13
IUPAC Name2-butyl-3-[[4-[3,4-dichloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine
SMILESCCCCc1nc2c(C)ccnc2n1Cc1ccc(-n2cc(Cl)c(Cl)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H22Cl2N8/c1-3-4-5-18-27-20-14(2)10-11-26-23(20)33(18)12-15-6-8-16(9-7-15)32-13-17(24)19(25)21(32)22-28-30-31-29-22/h6-11,13H,3-5,12H2,1-2H3,(H,28,29,30,31)
InChIKeyYHZITTMUTAZMLT-UHFFFAOYSA-N
XLogP5.41
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.39
LogP ≤ 55.41
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-[3,4-dichloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-butyl-3-[[4-[3,4-dichloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine (CID 19759584) is 2-butyl-3-[[4-[3,4-dichloro-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-[3,4-dichloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-butyl-3-[[4-[3,4-dichloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine is CCCCc1nc2c(C)ccnc2n1Cc1ccc(-n2cc(Cl)c(Cl)c2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-butyl-3-[[4-[3,4-dichloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine?
The InChIKey is YHZITTMUTAZMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N8/c1-3-4-5-18-27-20-14(2)10-11-26-23(20)33(18)12-15-6-8-16(9-7-15)32-13-17(24)19(25)21(32)22-28-30-31-29-22/h6-11,13H,3-5,12H2,1-2H3,(H,28,29,30,31).
What are the key properties of 2-butyl-3-[[4-[3,4-dichloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine?
2-butyl-3-[[4-[3,4-dichloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine has a molecular weight of 481.39 g/mol, XLogP of 5.41, 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-[3,4-dichloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 19759584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).