cyclopropyl-[4-[[2-[(6-furo[3,2-d]pyrimidin-4-yl-1H-benzimidazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone

C27H26N8O2 — CID 129245630

IUPACcyclopropyl-[4-[[2-[(6-furo[3,2-d]pyrimidin-4-yl-1H-benzimidazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(-c5ncnc6ccoc56)cc4[nH]3)c2)CC1
InChIInChI=1S/C27H26N8O2/c36-26(18-1-2-18)35-10-8-34(9-11-35)15-17-5-7-28-23(13-17)33-27-31-20-4-3-19(14-22(20)32-27)24-25-21(6-12-37-25)29-16-30-24/h3-7,12-14,16,18H,1-2,8-11,15H2,(H2,28,31,32,33)
InChIKeyFRCSCKSLQGAAFJ-UHFFFAOYSA-N
MW494.56 g/mol
LogP3.96
Rot. Bonds6

About cyclopropyl-[4-[[2-[(6-furo[3,2-d]pyrimidin-4-yl-1H-benzimidazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone

cyclopropyl-[4-[[2-[(6-furo[3,2-d]pyrimidin-4-yl-1H-benzimidazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone (PubChem CID 129245630) has the molecular formula C27H26N8O2 and a molecular weight of 494.56 g/mol. Its IUPAC name is cyclopropyl-[4-[[2-[(6-furo[3,2-d]pyrimidin-4-yl-1H-benzimidazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[[2-[(6-furo[3,2-d]pyrimidin-4-yl-1H-benzimidazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone
PubChem CID129245630
Molecular FormulaC27H26N8O2
Molecular Weight494.56 g/mol
Exact Mass494.22
IUPAC Namecyclopropyl-[4-[[2-[(6-furo[3,2-d]pyrimidin-4-yl-1H-benzimidazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(-c5ncnc6ccoc56)cc4[nH]3)c2)CC1
InChIInChI=1S/C27H26N8O2/c36-26(18-1-2-18)35-10-8-34(9-11-35)15-17-5-7-28-23(13-17)33-27-31-20-4-3-19(14-22(20)32-27)24-25-21(6-12-37-25)29-16-30-24/h3-7,12-14,16,18H,1-2,8-11,15H2,(H2,28,31,32,33)
InChIKeyFRCSCKSLQGAAFJ-UHFFFAOYSA-N
XLogP3.96
TPSA116.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.56
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze cyclopropyl-[4-[[2-[(6-furo[3,2-d]pyrimidin-4-yl-1H-benzimidazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-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 cyclopropyl-[4-[[2-[(6-furo[3,2-d]pyrimidin-4-yl-1H-benzimidazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[[2-[(6-furo[3,2-d]pyrimidin-4-yl-1H-benzimidazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone (CID 129245630) is cyclopropyl-[4-[[2-[(6-furo[3,2-d]pyrimidin-4-yl-1H-benzimidazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[[2-[(6-furo[3,2-d]pyrimidin-4-yl-1H-benzimidazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[[2-[(6-furo[3,2-d]pyrimidin-4-yl-1H-benzimidazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(-c5ncnc6ccoc56)cc4[nH]3)c2)CC1.
What is the InChIKey of cyclopropyl-[4-[[2-[(6-furo[3,2-d]pyrimidin-4-yl-1H-benzimidazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone?
The InChIKey is FRCSCKSLQGAAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O2/c36-26(18-1-2-18)35-10-8-34(9-11-35)15-17-5-7-28-23(13-17)33-27-31-20-4-3-19(14-22(20)32-27)24-25-21(6-12-37-25)29-16-30-24/h3-7,12-14,16,18H,1-2,8-11,15H2,(H2,28,31,32,33).
What are the key properties of cyclopropyl-[4-[[2-[(6-furo[3,2-d]pyrimidin-4-yl-1H-benzimidazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[[2-[(6-furo[3,2-d]pyrimidin-4-yl-1H-benzimidazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone has a molecular weight of 494.56 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[[2-[(6-furo[3,2-d]pyrimidin-4-yl-1H-benzimidazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 129245630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).