4-(oxan-4-yloxy)-3-[1-(oxolan-3-yl)benzimidazol-5-yl]-1H-pyrrolo[3,4-c]pyridine

C23H24N4O3 — CID 153021155

IUPAC4-(oxan-4-yloxy)-3-[1-(oxolan-3-yl)benzimidazol-5-yl]-1H-pyrrolo[3,4-c]pyridine
SMILESc1cc2c(c(OC3CCOCC3)n1)C(c1ccc3c(c1)ncn3C1CCOC1)=NC2
InChIInChI=1S/C23H24N4O3/c1-2-20-19(26-14-27(20)17-4-8-29-13-17)11-15(1)22-21-16(12-25-22)3-7-24-23(21)30-18-5-9-28-10-6-18/h1-3,7,11,14,17-18H,4-6,8-10,12-13H2
InChIKeyVBYPVCHBMIGJLP-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.30
Rot. Bonds4

About 4-(oxan-4-yloxy)-3-[1-(oxolan-3-yl)benzimidazol-5-yl]-1H-pyrrolo[3,4-c]pyridine

4-(oxan-4-yloxy)-3-[1-(oxolan-3-yl)benzimidazol-5-yl]-1H-pyrrolo[3,4-c]pyridine (PubChem CID 153021155) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-(oxan-4-yloxy)-3-[1-(oxolan-3-yl)benzimidazol-5-yl]-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-(oxan-4-yloxy)-3-[1-(oxolan-3-yl)benzimidazol-5-yl]-1H-pyrrolo[3,4-c]pyridine
PubChem CID153021155
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name4-(oxan-4-yloxy)-3-[1-(oxolan-3-yl)benzimidazol-5-yl]-1H-pyrrolo[3,4-c]pyridine
SMILESc1cc2c(c(OC3CCOCC3)n1)C(c1ccc3c(c1)ncn3C1CCOC1)=NC2
InChIInChI=1S/C23H24N4O3/c1-2-20-19(26-14-27(20)17-4-8-29-13-17)11-15(1)22-21-16(12-25-22)3-7-24-23(21)30-18-5-9-28-10-6-18/h1-3,7,11,14,17-18H,4-6,8-10,12-13H2
InChIKeyVBYPVCHBMIGJLP-UHFFFAOYSA-N
XLogP3.30
TPSA70.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(oxan-4-yloxy)-3-[1-(oxolan-3-yl)benzimidazol-5-yl]-1H-pyrrolo[3,4-c]pyridine with MolForge

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Related Compounds

1-[(2,2-difluorocyclopropyl)methyl]-5-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzimidazole
CID 158819881
4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridine
CID 158186722
3-(3H-benzimidazol-5-yl)-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;1-methyl-4-(oxan-4-yloxy)-3-(1-propan-2-ylbenzimidazol-5-yl)pyrazolo[4,3-c]pyridine;1-methyl-4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)pyrazolo[4,3-c]pyridine;4-(oxan-4-yloxy)-3-(1-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[3,4-c]pyridine;4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[3,4-c]pyridine
CID 159998471
N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzamide
CID 157369021
3-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridine
CID 148567372
4-[4-(4-ethoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-2-pyridinyl]morpholine
CID 66826994
3-iodo-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;[4-[1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]phenyl]methanone
CID 159080527
4-methoxy-3-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine
CID 159386061
5-bromo-1-(oxan-3-yl)benzimidazole
CID 118338387
4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine
CID 148817328
3-(oxolan-3-yl)benzimidazole-5-carboxylic acid
CID 82790331
5-chloro-2-[1-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzoxazole
CID 67498577

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yloxy)-3-[1-(oxolan-3-yl)benzimidazol-5-yl]-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 4-(oxan-4-yloxy)-3-[1-(oxolan-3-yl)benzimidazol-5-yl]-1H-pyrrolo[3,4-c]pyridine (CID 153021155) is 4-(oxan-4-yloxy)-3-[1-(oxolan-3-yl)benzimidazol-5-yl]-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 4-(oxan-4-yloxy)-3-[1-(oxolan-3-yl)benzimidazol-5-yl]-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 4-(oxan-4-yloxy)-3-[1-(oxolan-3-yl)benzimidazol-5-yl]-1H-pyrrolo[3,4-c]pyridine is c1cc2c(c(OC3CCOCC3)n1)C(c1ccc3c(c1)ncn3C1CCOC1)=NC2.
What is the InChIKey of 4-(oxan-4-yloxy)-3-[1-(oxolan-3-yl)benzimidazol-5-yl]-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is VBYPVCHBMIGJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-2-20-19(26-14-27(20)17-4-8-29-13-17)11-15(1)22-21-16(12-25-22)3-7-24-23(21)30-18-5-9-28-10-6-18/h1-3,7,11,14,17-18H,4-6,8-10,12-13H2.
What are the key properties of 4-(oxan-4-yloxy)-3-[1-(oxolan-3-yl)benzimidazol-5-yl]-1H-pyrrolo[3,4-c]pyridine?
4-(oxan-4-yloxy)-3-[1-(oxolan-3-yl)benzimidazol-5-yl]-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 404.47 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yloxy)-3-[1-(oxolan-3-yl)benzimidazol-5-yl]-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 153021155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).