[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone

C27H26N8O — CID 10435200

IUPAC[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(=O)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C27H26N8O/c1-4-23-29-24-16(2)13-17(3)28-26(24)35(23)15-18-9-10-22-19(14-18)11-12-34(22)27(36)21-8-6-5-7-20(21)25-30-32-33-31-25/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,30,31,32,33)
InChIKeyVAEBNAZFCFYVNW-UHFFFAOYSA-N
MW478.56 g/mol
LogP4.04
Rot. Bonds5

About [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone

[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone (PubChem CID 10435200) has the molecular formula C27H26N8O and a molecular weight of 478.56 g/mol. Its IUPAC name is [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
PubChem CID10435200
Molecular FormulaC27H26N8O
Molecular Weight478.56 g/mol
Exact Mass478.22
IUPAC Name[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(=O)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C27H26N8O/c1-4-23-29-24-16(2)13-17(3)28-26(24)35(23)15-18-9-10-22-19(14-18)11-12-34(22)27(36)21-8-6-5-7-20(21)25-30-32-33-31-25/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,30,31,32,33)
InChIKeyVAEBNAZFCFYVNW-UHFFFAOYSA-N
XLogP4.04
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone with MolForge

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Related Compounds

Pimitespib
CID 67501411
3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide
CID 67501021
5-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 10390188
5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 10004489
2-ethyl-5,7-dimethyl-3-[[1-[phenyl(2H-tetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]methyl]imidazo[4,5-b]pyridine
CID 10322211
5-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 10479983
7-methyl-N-(2-phenylpropyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 70682146
2-[6-[4-[(2S)-butan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-pyrrolidin-1-yl-3H-isoindol-1-one
CID 166627131
3-[N-(2-cyanobenzoyl)-5-indolyl]methyl-5,7-dimethyl-2-ethyl-3H-imidazo[4,5-b]pyridine
CID 10025873
2-[5-[(2-Ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindole-1-carbonyl]benzonitrile
CID 10048602
3-(N-Benzoyl-5-indolyl)methyl-5,7-dimethyl-2-ethyl-3H-imidazo[4,5-b]pyridine
CID 10250898
3-[N-(2-tetrazol-5-yl-benzoyl)-5-indolyl]methyl-5,7-dimethyl-2-ethyl-3H-imidazo[4,5-b]pyridine
CID 10367704

Frequently Asked Questions

What is the IUPAC name of [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The IUPAC name of [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone (CID 10435200) is [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone.
What is the SMILES notation for [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The canonical SMILES for [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone is CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(=O)c1ccccc1-c1nn[nH]n1.
What is the InChIKey of [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The InChIKey is VAEBNAZFCFYVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O/c1-4-23-29-24-16(2)13-17(3)28-26(24)35(23)15-18-9-10-22-19(14-18)11-12-34(22)27(36)21-8-6-5-7-20(21)25-30-32-33-31-25/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,30,31,32,33).
What are the key properties of [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone has a molecular weight of 478.56 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 10435200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).