3-[[4-[3-(1-benzyltetrazol-5-yl)-1-ethyl-5-methylpyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one

C30H30N8O — CID 139694760

IUPAC3-[[4-[3-(1-benzyltetrazol-5-yl)-1-ethyl-5-methylpyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCn1c(C)cc(-c2nnnn2Cc2ccccc2)c1-c1ccc(Cn2c(=O)[nH]c3c(C)cc(C)nc32)cc1
InChIInChI=1S/C30H30N8O/c1-5-36-21(4)16-25(28-33-34-35-38(28)18-22-9-7-6-8-10-22)27(36)24-13-11-23(12-14-24)17-37-29-26(32-30(37)39)19(2)15-20(3)31-29/h6-16H,5,17-18H2,1-4H3,(H,32,39)
InChIKeyDHJZNBAPANAWIR-UHFFFAOYSA-N
MW518.63 g/mol
LogP4.89
Rot. Bonds7

About 3-[[4-[3-(1-benzyltetrazol-5-yl)-1-ethyl-5-methylpyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one

3-[[4-[3-(1-benzyltetrazol-5-yl)-1-ethyl-5-methylpyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 139694760) has the molecular formula C30H30N8O and a molecular weight of 518.63 g/mol. Its IUPAC name is 3-[[4-[3-(1-benzyltetrazol-5-yl)-1-ethyl-5-methylpyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[[4-[3-(1-benzyltetrazol-5-yl)-1-ethyl-5-methylpyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID139694760
Molecular FormulaC30H30N8O
Molecular Weight518.63 g/mol
Exact Mass518.25
IUPAC Name3-[[4-[3-(1-benzyltetrazol-5-yl)-1-ethyl-5-methylpyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCn1c(C)cc(-c2nnnn2Cc2ccccc2)c1-c1ccc(Cn2c(=O)[nH]c3c(C)cc(C)nc32)cc1
InChIInChI=1S/C30H30N8O/c1-5-36-21(4)16-25(28-33-34-35-38(28)18-22-9-7-6-8-10-22)27(36)24-13-11-23(12-14-24)17-37-29-26(32-30(37)39)19(2)15-20(3)31-29/h6-16H,5,17-18H2,1-4H3,(H,32,39)
InChIKeyDHJZNBAPANAWIR-UHFFFAOYSA-N
XLogP4.89
TPSA99.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.63
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[4-[3-(1-benzyltetrazol-5-yl)-1-ethyl-5-methylpyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

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1-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
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2-ethyl-3-[[4-[1-ethyl-5-methyl-3-(1-trityltetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-N,7-dimethylimidazo[4,5-b]pyridine-5-carboxamide
CID 67885790
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CID 139613711
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CID 70322980
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1-benzyl-5-[2-[4-[(2-butyl-4-chloro-5-methoxyimidazol-1-yl)methyl]phenyl]phenyl]tetrazole;ethane
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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-(1-benzyltetrazol-5-yl)-1-ethyl-5-methylpyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[[4-[3-(1-benzyltetrazol-5-yl)-1-ethyl-5-methylpyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one (CID 139694760) is 3-[[4-[3-(1-benzyltetrazol-5-yl)-1-ethyl-5-methylpyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[[4-[3-(1-benzyltetrazol-5-yl)-1-ethyl-5-methylpyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[[4-[3-(1-benzyltetrazol-5-yl)-1-ethyl-5-methylpyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one is CCn1c(C)cc(-c2nnnn2Cc2ccccc2)c1-c1ccc(Cn2c(=O)[nH]c3c(C)cc(C)nc32)cc1.
What is the InChIKey of 3-[[4-[3-(1-benzyltetrazol-5-yl)-1-ethyl-5-methylpyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is DHJZNBAPANAWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N8O/c1-5-36-21(4)16-25(28-33-34-35-38(28)18-22-9-7-6-8-10-22)27(36)24-13-11-23(12-14-24)17-37-29-26(32-30(37)39)19(2)15-20(3)31-29/h6-16H,5,17-18H2,1-4H3,(H,32,39).
What are the key properties of 3-[[4-[3-(1-benzyltetrazol-5-yl)-1-ethyl-5-methylpyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one?
3-[[4-[3-(1-benzyltetrazol-5-yl)-1-ethyl-5-methylpyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 518.63 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-(1-benzyltetrazol-5-yl)-1-ethyl-5-methylpyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 139694760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).