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

C107H117N23O10 — CID 159998471

IUPAC3-(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
SMILESCC(C)n1cnc2cc(-c3nn(C)c4ccnc(OC5CCOCC5)c34)ccc21.CC(C)n1cnc2cc(C3=NCc4ccnc(OC5CCOCC5)c43)ccc21.CC(C)n1cnc2ccc(-c3nn(C)c4ccnc(OC5CCOCC5)c34)cc21.CC(C)n1cnc2ccc(C3=NCc4ccnc(OC5CCOCC5)c43)cc21.Cn1nc(-c2ccc3nc[nH]c3c2)c2c(OC3CCOCC3)nccc21
InChIInChI=1S/2C22H25N5O2.2C22H24N4O2.C19H19N5O2/c1-14(2)27-13-24-17-12-15(4-5-18(17)27)21-20-19(26(3)25-21)6-9-23-22(20)29-16-7-10-28-11-8-16;1-14(2)27-13-24-17-5-4-15(12-19(17)27)21-20-18(26(3)25-21)6-9-23-22(20)29-16-7-10-28-11-8-16;1-14(2)26-13-25-18-11-15(3-4-19(18)26)21-20-16(12-24-21)5-8-23-22(20)28-17-6-9-27-10-7-17;1-14(2)26-13-25-18-4-3-15(11-19(18)26)21-20-16(12-24-21)5-8-23-22(20)28-17-6-9-27-10-7-17;1-24-16-4-7-20-19(26-13-5-8-25-9-6-13)17(16)18(23-24)12-2-3-14-15(10-12)22-11-21-14/h2*4-6,9,12-14,16H,7-8,10-11H2,1-3H3;2*3-5,8,11,13-14,17H,6-7,9-10,12H2,1-2H3;2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,21,22)
InChIKeyOHVWJRKACWQKIQ-UHFFFAOYSA-N
MW1885.26 g/mol
LogP19.16
Rot. Bonds19

About 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

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 (PubChem CID 159998471) has the molecular formula C107H117N23O10 and a molecular weight of 1885.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID159998471
Molecular FormulaC107H117N23O10
Molecular Weight1885.26 g/mol
Exact Mass1883.94
IUPAC Name3-(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
SMILESCC(C)n1cnc2cc(-c3nn(C)c4ccnc(OC5CCOCC5)c34)ccc21.CC(C)n1cnc2cc(C3=NCc4ccnc(OC5CCOCC5)c43)ccc21.CC(C)n1cnc2ccc(-c3nn(C)c4ccnc(OC5CCOCC5)c34)cc21.CC(C)n1cnc2ccc(C3=NCc4ccnc(OC5CCOCC5)c43)cc21.Cn1nc(-c2ccc3nc[nH]c3c2)c2c(OC3CCOCC3)nccc21
InChIInChI=1S/2C22H25N5O2.2C22H24N4O2.C19H19N5O2/c1-14(2)27-13-24-17-12-15(4-5-18(17)27)21-20-19(26(3)25-21)6-9-23-22(20)29-16-7-10-28-11-8-16;1-14(2)27-13-24-17-5-4-15(12-19(17)27)21-20-18(26(3)25-21)6-9-23-22(20)29-16-7-10-28-11-8-16;1-14(2)26-13-25-18-11-15(3-4-19(18)26)21-20-16(12-24-21)5-8-23-22(20)28-17-6-9-27-10-7-17;1-14(2)26-13-25-18-4-3-15(11-19(18)26)21-20-16(12-24-21)5-8-23-22(20)28-17-6-9-27-10-7-17;1-24-16-4-7-20-19(26-13-5-8-25-9-6-13)17(16)18(23-24)12-2-3-14-15(10-12)22-11-21-14/h2*4-6,9,12-14,16H,7-8,10-11H2,1-3H3;2*3-5,8,11,13-14,17H,6-7,9-10,12H2,1-2H3;2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,21,22)
InChIKeyOHVWJRKACWQKIQ-UHFFFAOYSA-N
XLogP19.16
TPSA334.89 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds19
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001885.26
LogP ≤ 519.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)n1cnc2cc(-c3nn(C)c4ccnc(OC5CCOCC5)c34)ccc21.CC(C)n1cnc2cc(C3=NCc4ccnc(OC5CCOCC5)c43)ccc21.CC(C)n1cnc2ccc(-c3nn(C)c4ccnc(OC5CCOCC5)c34)cc21.CC(C)n1cnc2ccc(C3=NCc4ccnc(OC5CCOCC5)c43)cc21.Cn1nc(-c2ccc3nc[nH]c3c2)c2c(OC3CCOCC3)nccc21.
What is the InChIKey of 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?
The InChIKey is OHVWJRKACWQKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H25N5O2.2C22H24N4O2.C19H19N5O2/c1-14(2)27-13-24-17-12-15(4-5-18(17)27)21-20-19(26(3)25-21)6-9-23-22(20)29-16-7-10-28-11-8-16;1-14(2)27-13-24-17-5-4-15(12-19(17)27)21-20-18(26(3)25-21)6-9-23-22(20)29-16-7-10-28-11-8-16;1-14(2)26-13-25-18-11-15(3-4-19(18)26)21-20-16(12-24-21)5-8-23-22(20)28-17-6-9-27-10-7-17;1-14(2)26-13-25-18-4-3-15(11-19(18)26)21-20-16(12-24-21)5-8-23-22(20)28-17-6-9-27-10-7-17;1-24-16-4-7-20-19(26-13-5-8-25-9-6-13)17(16)18(23-24)12-2-3-14-15(10-12)22-11-21-14/h2*4-6,9,12-14,16H,7-8,10-11H2,1-3H3;2*3-5,8,11,13-14,17H,6-7,9-10,12H2,1-2H3;2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,21,22).
What are the key properties of 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?
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 has a molecular weight of 1885.26 g/mol, XLogP of 19.16, 19 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159998471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).