[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone

C26H27N7O3 — CID 50938731

IUPAC[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)c4cc5ccc(OCCN6CCOCC6)cc5[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C26H27N7O3/c1-16-29-21-5-3-18(13-23(21)30-16)33-26(27)20(15-28-33)25(34)24-12-17-2-4-19(14-22(17)31-24)36-11-8-32-6-9-35-10-7-32/h2-5,12-15,31H,6-11,27H2,1H3,(H,29,30)
InChIKeyWGEUPMAJTYQVEP-UHFFFAOYSA-N
MW485.55 g/mol
LogP3.06
Rot. Bonds7

About [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone (PubChem CID 50938731) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone
PubChem CID50938731
Molecular FormulaC26H27N7O3
Molecular Weight485.55 g/mol
Exact Mass485.22
IUPAC Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)c4cc5ccc(OCCN6CCOCC6)cc5[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C26H27N7O3/c1-16-29-21-5-3-18(13-23(21)30-16)33-26(27)20(15-28-33)25(34)24-12-17-2-4-19(14-22(17)31-24)36-11-8-32-6-9-35-10-7-32/h2-5,12-15,31H,6-11,27H2,1H3,(H,29,30)
InChIKeyWGEUPMAJTYQVEP-UHFFFAOYSA-N
XLogP3.06
TPSA127.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone?
The IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone (CID 50938731) is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone.
What is the SMILES notation for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone?
The canonical SMILES for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone is Cc1nc2ccc(-n3ncc(C(=O)c4cc5ccc(OCCN6CCOCC6)cc5[nH]4)c3N)cc2[nH]1.
What is the InChIKey of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone?
The InChIKey is WGEUPMAJTYQVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3/c1-16-29-21-5-3-18(13-23(21)30-16)33-26(27)20(15-28-33)25(34)24-12-17-2-4-19(14-22(17)31-24)36-11-8-32-6-9-35-10-7-32/h2-5,12-15,31H,6-11,27H2,1H3,(H,29,30).
What are the key properties of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone?
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone has a molecular weight of 485.55 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone is sourced from PubChem (CID 50938731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).