[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol

C21H19N9O2 — CID 164620295

IUPAC[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ncccn2)nc2nc(OC)c(-c3nn[nH]n3)cc21
InChIInChI=1S/C21H19N9O2/c1-3-30-15-12-14(16-26-28-29-27-16)18(32-2)24-17(15)25-20(30)21(31,13-8-5-4-6-9-13)19-22-10-7-11-23-19/h4-12,31H,3H2,1-2H3,(H,26,27,28,29)
InChIKeyKWJUGHRFXRQCLM-UHFFFAOYSA-N
MW429.44 g/mol
LogP1.71
Rot. Bonds6

About [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol

[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol (PubChem CID 164620295) has the molecular formula C21H19N9O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol.

Molecular Properties

Compound Name[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol
PubChem CID164620295
Molecular FormulaC21H19N9O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC Name[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ncccn2)nc2nc(OC)c(-c3nn[nH]n3)cc21
InChIInChI=1S/C21H19N9O2/c1-3-30-15-12-14(16-26-28-29-27-16)18(32-2)24-17(15)25-20(30)21(31,13-8-5-4-6-9-13)19-22-10-7-11-23-19/h4-12,31H,3H2,1-2H3,(H,26,27,28,29)
InChIKeyKWJUGHRFXRQCLM-UHFFFAOYSA-N
XLogP1.71
TPSA140.41 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-ethyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
CID 156855141
[1-ethyl-5-methyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol
CID 168740445
1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-(hydroxy-phenyl-quinolin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
CID 168678823
N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-(2-methoxyethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 168678827
(1-ethyl-4-methoxy-6-methylbenzimidazol-2-yl)-diphenylmethanol
CID 126726516
[5-chloro-1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
CID 171034292
[3-ethyl-7-methoxy-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol
CID 166752056
[7-chloro-3-ethyl-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol
CID 168740456
2-[3-ethyl-2-[hydroxy(diphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]oxyethanol
CID 126726489
(1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol
CID 118516006
2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile
CID 126726519
5-chloro-1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 168678854

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol?
The IUPAC name of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol (CID 164620295) is [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol.
What is the SMILES notation for [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol?
The canonical SMILES for [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol is CCn1c(C(O)(c2ccccc2)c2ncccn2)nc2nc(OC)c(-c3nn[nH]n3)cc21.
What is the InChIKey of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol?
The InChIKey is KWJUGHRFXRQCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N9O2/c1-3-30-15-12-14(16-26-28-29-27-16)18(32-2)24-17(15)25-20(30)21(31,13-8-5-4-6-9-13)19-22-10-7-11-23-19/h4-12,31H,3H2,1-2H3,(H,26,27,28,29).
What are the key properties of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol?
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol has a molecular weight of 429.44 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol is sourced from PubChem (CID 164620295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).