5-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid

C27H23N7O2 — CID 11477098

IUPAC5-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C(=O)O)c3nnnn3c3ccccc23)cc1
InChIInChI=1S/C27H23N7O2/c1-4-21-29-24-15(2)13-16(3)28-26(24)33(21)14-17-9-11-18(12-10-17)22-19-7-5-6-8-20(19)34-25(30-31-32-34)23(22)27(35)36/h5-13H,4,14H2,1-3H3,(H,35,36)
InChIKeyHCPXGEGUGVVACK-UHFFFAOYSA-N
MW477.53 g/mol
LogP4.61
Rot. Bonds5

About 5-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid

5-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid (PubChem CID 11477098) has the molecular formula C27H23N7O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is 5-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name5-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid
PubChem CID11477098
Molecular FormulaC27H23N7O2
Molecular Weight477.53 g/mol
Exact Mass477.19
IUPAC Name5-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C(=O)O)c3nnnn3c3ccccc23)cc1
InChIInChI=1S/C27H23N7O2/c1-4-21-29-24-15(2)13-16(3)28-26(24)33(21)14-17-9-11-18(12-10-17)22-19-7-5-6-8-20(19)34-25(30-31-32-34)23(22)27(35)36/h5-13H,4,14H2,1-3H3,(H,35,36)
InChIKeyHCPXGEGUGVVACK-UHFFFAOYSA-N
XLogP4.61
TPSA111.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid?
The IUPAC name of 5-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid (CID 11477098) is 5-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid.
What is the SMILES notation for 5-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid?
The canonical SMILES for 5-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C(=O)O)c3nnnn3c3ccccc23)cc1.
What is the InChIKey of 5-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid?
The InChIKey is HCPXGEGUGVVACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O2/c1-4-21-29-24-15(2)13-16(3)28-26(24)33(21)14-17-9-11-18(12-10-17)22-19-7-5-6-8-20(19)34-25(30-31-32-34)23(22)27(35)36/h5-13H,4,14H2,1-3H3,(H,35,36).
What are the key properties of 5-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid?
5-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid has a molecular weight of 477.53 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]tetrazolo[1,5-a]quinoline-4-carboxylic acid is sourced from PubChem (CID 11477098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).