[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

C24H29F2N9O2 — CID 134157534

IUPAC[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1
InChIInChI=1S/C24H29F2N9O2/c25-19(26)20-28-16-4-1-2-6-18(16)35(20)24-30-22(29-23(31-24)34-12-14-37-15-13-34)33-10-8-32(9-11-33)21(36)17-5-3-7-27-17/h1-2,4,6,17,19,27H,3,5,7-15H2/t17-/m1/s1
InChIKeyRHXSBAVYCAXUKN-QGZVFWFLSA-N
MW513.55 g/mol
LogP1.39
Rot. Bonds5

About [4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 134157534) has the molecular formula C24H29F2N9O2 and a molecular weight of 513.55 g/mol. Its IUPAC name is [4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID134157534
Molecular FormulaC24H29F2N9O2
Molecular Weight513.55 g/mol
Exact Mass513.24
IUPAC Name[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1
InChIInChI=1S/C24H29F2N9O2/c25-19(26)20-28-16-4-1-2-6-18(16)35(20)24-30-22(29-23(31-24)34-12-14-37-15-13-34)33-10-8-32(9-11-33)21(36)17-5-3-7-27-17/h1-2,4,6,17,19,27H,3,5,7-15H2/t17-/m1/s1
InChIKeyRHXSBAVYCAXUKN-QGZVFWFLSA-N
XLogP1.39
TPSA104.54 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.55
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[(2R)-pyrrolidin-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 [4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of [4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (CID 134157534) is [4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is O=C([C@H]1CCCN1)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1.
What is the InChIKey of [4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is RHXSBAVYCAXUKN-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H29F2N9O2/c25-19(26)20-28-16-4-1-2-6-18(16)35(20)24-30-22(29-23(31-24)34-12-14-37-15-13-34)33-10-8-32(9-11-33)21(36)17-5-3-7-27-17/h1-2,4,6,17,19,27H,3,5,7-15H2/t17-/m1/s1.
What are the key properties of [4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 513.55 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 134157534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).