1-[[4-[7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-8-morpholin-4-ylquinoxalin-2-yl]pyrazol-1-yl]methyl]cyclopropan-1-ol

C27H27N7O3 — CID 170775144

IUPAC1-[[4-[7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-8-morpholin-4-ylquinoxalin-2-yl]pyrazol-1-yl]methyl]cyclopropan-1-ol
SMILESCc1nc2ccc(Oc3ccc4ncc(-c5cnn(CC6(O)CC6)c5)nc4c3N3CCOCC3)cc2[nH]1
InChIInChI=1S/C27H27N7O3/c1-17-30-20-3-2-19(12-22(20)31-17)37-24-5-4-21-25(26(24)33-8-10-36-11-9-33)32-23(14-28-21)18-13-29-34(15-18)16-27(35)6-7-27/h2-5,12-15,35H,6-11,16H2,1H3,(H,30,31)
InChIKeyFMPPTJPKKYLKLY-UHFFFAOYSA-N
MW497.56 g/mol
LogP3.83
Rot. Bonds6

About 1-[[4-[7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-8-morpholin-4-ylquinoxalin-2-yl]pyrazol-1-yl]methyl]cyclopropan-1-ol

1-[[4-[7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-8-morpholin-4-ylquinoxalin-2-yl]pyrazol-1-yl]methyl]cyclopropan-1-ol (PubChem CID 170775144) has the molecular formula C27H27N7O3 and a molecular weight of 497.56 g/mol. Its IUPAC name is 1-[[4-[7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-8-morpholin-4-ylquinoxalin-2-yl]pyrazol-1-yl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[4-[7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-8-morpholin-4-ylquinoxalin-2-yl]pyrazol-1-yl]methyl]cyclopropan-1-ol
PubChem CID170775144
Molecular FormulaC27H27N7O3
Molecular Weight497.56 g/mol
Exact Mass497.22
IUPAC Name1-[[4-[7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-8-morpholin-4-ylquinoxalin-2-yl]pyrazol-1-yl]methyl]cyclopropan-1-ol
SMILESCc1nc2ccc(Oc3ccc4ncc(-c5cnn(CC6(O)CC6)c5)nc4c3N3CCOCC3)cc2[nH]1
InChIInChI=1S/C27H27N7O3/c1-17-30-20-3-2-19(12-22(20)31-17)37-24-5-4-21-25(26(24)33-8-10-36-11-9-33)32-23(14-28-21)18-13-29-34(15-18)16-27(35)6-7-27/h2-5,12-15,35H,6-11,16H2,1H3,(H,30,31)
InChIKeyFMPPTJPKKYLKLY-UHFFFAOYSA-N
XLogP3.83
TPSA114.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[[4-[7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-8-morpholin-4-ylquinoxalin-2-yl]pyrazol-1-yl]methyl]cyclopropan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-8-morpholin-4-ylquinoxalin-2-yl]pyrazol-1-yl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[4-[7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-8-morpholin-4-ylquinoxalin-2-yl]pyrazol-1-yl]methyl]cyclopropan-1-ol (CID 170775144) is 1-[[4-[7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-8-morpholin-4-ylquinoxalin-2-yl]pyrazol-1-yl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[4-[7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-8-morpholin-4-ylquinoxalin-2-yl]pyrazol-1-yl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[4-[7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-8-morpholin-4-ylquinoxalin-2-yl]pyrazol-1-yl]methyl]cyclopropan-1-ol is Cc1nc2ccc(Oc3ccc4ncc(-c5cnn(CC6(O)CC6)c5)nc4c3N3CCOCC3)cc2[nH]1.
What is the InChIKey of 1-[[4-[7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-8-morpholin-4-ylquinoxalin-2-yl]pyrazol-1-yl]methyl]cyclopropan-1-ol?
The InChIKey is FMPPTJPKKYLKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O3/c1-17-30-20-3-2-19(12-22(20)31-17)37-24-5-4-21-25(26(24)33-8-10-36-11-9-33)32-23(14-28-21)18-13-29-34(15-18)16-27(35)6-7-27/h2-5,12-15,35H,6-11,16H2,1H3,(H,30,31).
What are the key properties of 1-[[4-[7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-8-morpholin-4-ylquinoxalin-2-yl]pyrazol-1-yl]methyl]cyclopropan-1-ol?
1-[[4-[7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-8-morpholin-4-ylquinoxalin-2-yl]pyrazol-1-yl]methyl]cyclopropan-1-ol has a molecular weight of 497.56 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-8-morpholin-4-ylquinoxalin-2-yl]pyrazol-1-yl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 170775144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).