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

C25H24N6O3 — CID 50939892

IUPAC[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[(3-methyloxetan-3-yl)methoxy]-1H-indol-2-yl]methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)c4cc5ccc(OCC6(C)COC6)cc5[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C25H24N6O3/c1-14-28-19-6-4-16(8-21(19)29-14)31-24(26)18(10-27-31)23(32)22-7-15-3-5-17(9-20(15)30-22)34-13-25(2)11-33-12-25/h3-10,30H,11-13,26H2,1-2H3,(H,28,29)
InChIKeyKTMMZCLUGNPLAT-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.77
Rot. Bonds6

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

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[(3-methyloxetan-3-yl)methoxy]-1H-indol-2-yl]methanone (PubChem CID 50939892) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[(3-methyloxetan-3-yl)methoxy]-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[(3-methyloxetan-3-yl)methoxy]-1H-indol-2-yl]methanone
PubChem CID50939892
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[(3-methyloxetan-3-yl)methoxy]-1H-indol-2-yl]methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)c4cc5ccc(OCC6(C)COC6)cc5[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C25H24N6O3/c1-14-28-19-6-4-16(8-21(19)29-14)31-24(26)18(10-27-31)23(32)22-7-15-3-5-17(9-20(15)30-22)34-13-25(2)11-33-12-25/h3-10,30H,11-13,26H2,1-2H3,(H,28,29)
InChIKeyKTMMZCLUGNPLAT-UHFFFAOYSA-N
XLogP3.77
TPSA123.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[(3-methyloxetan-3-yl)methoxy]-1H-indol-2-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[(3-methyloxetan-3-yl)methoxy]-1H-indol-2-yl]methanone?
The IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[(3-methyloxetan-3-yl)methoxy]-1H-indol-2-yl]methanone (CID 50939892) is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[(3-methyloxetan-3-yl)methoxy]-1H-indol-2-yl]methanone.
What is the SMILES notation for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[(3-methyloxetan-3-yl)methoxy]-1H-indol-2-yl]methanone?
The canonical SMILES for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[(3-methyloxetan-3-yl)methoxy]-1H-indol-2-yl]methanone is Cc1nc2ccc(-n3ncc(C(=O)c4cc5ccc(OCC6(C)COC6)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-[(3-methyloxetan-3-yl)methoxy]-1H-indol-2-yl]methanone?
The InChIKey is KTMMZCLUGNPLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-14-28-19-6-4-16(8-21(19)29-14)31-24(26)18(10-27-31)23(32)22-7-15-3-5-17(9-20(15)30-22)34-13-25(2)11-33-12-25/h3-10,30H,11-13,26H2,1-2H3,(H,28,29).
What are the key properties of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[(3-methyloxetan-3-yl)methoxy]-1H-indol-2-yl]methanone?
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[(3-methyloxetan-3-yl)methoxy]-1H-indol-2-yl]methanone has a molecular weight of 456.51 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 7 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-[(3-methyloxetan-3-yl)methoxy]-1H-indol-2-yl]methanone is sourced from PubChem (CID 50939892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).