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

C26H26FN7O — CID 66554717

IUPAC[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[5-[(3-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)c4cc5cc(CN6CCCC(F)C6)ccc5[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C26H26FN7O/c1-15-30-22-7-5-19(11-23(22)31-15)34-26(28)20(12-29-34)25(35)24-10-17-9-16(4-6-21(17)32-24)13-33-8-2-3-18(27)14-33/h4-7,9-12,18,32H,2-3,8,13-14,28H2,1H3,(H,30,31)
InChIKeySPXNVPJERGMJSD-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.29
Rot. Bonds5

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

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[5-[(3-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]methanone (PubChem CID 66554717) has the molecular formula C26H26FN7O and a molecular weight of 471.54 g/mol. Its IUPAC name is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[5-[(3-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[5-[(3-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]methanone
PubChem CID66554717
Molecular FormulaC26H26FN7O
Molecular Weight471.54 g/mol
Exact Mass471.22
IUPAC Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[5-[(3-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)c4cc5cc(CN6CCCC(F)C6)ccc5[nH]4)c3N)cc2[nH]1
InChIInChI=1S/C26H26FN7O/c1-15-30-22-7-5-19(11-23(22)31-15)34-26(28)20(12-29-34)25(35)24-10-17-9-16(4-6-21(17)32-24)13-33-8-2-3-18(27)14-33/h4-7,9-12,18,32H,2-3,8,13-14,28H2,1H3,(H,30,31)
InChIKeySPXNVPJERGMJSD-UHFFFAOYSA-N
XLogP4.29
TPSA108.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[5-[(3-fluoropiperidin-1-yl)methyl]-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]-[5-[(3-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]methanone?
The IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[5-[(3-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]methanone (CID 66554717) is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[5-[(3-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]methanone.
What is the SMILES notation for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[5-[(3-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]methanone?
The canonical SMILES for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[5-[(3-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]methanone is Cc1nc2ccc(-n3ncc(C(=O)c4cc5cc(CN6CCCC(F)C6)ccc5[nH]4)c3N)cc2[nH]1.
What is the InChIKey of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[5-[(3-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]methanone?
The InChIKey is SPXNVPJERGMJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O/c1-15-30-22-7-5-19(11-23(22)31-15)34-26(28)20(12-29-34)25(35)24-10-17-9-16(4-6-21(17)32-24)13-33-8-2-3-18(27)14-33/h4-7,9-12,18,32H,2-3,8,13-14,28H2,1H3,(H,30,31).
What are the key properties of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[5-[(3-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]methanone?
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[5-[(3-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]methanone has a molecular weight of 471.54 g/mol, XLogP of 4.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[5-[(3-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]methanone is sourced from PubChem (CID 66554717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).