1-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]propan-2-ol

C29H35F2N7O2 — CID 146327236

IUPAC1-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]propan-2-ol
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCOC(C)(CC(C)O)C5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C29H35F2N7O2/c1-17(2)38-19(4)34-27-22(30)10-21(11-24(27)38)26-23(31)14-33-28(36-26)35-25-7-6-20(13-32-25)15-37-8-9-40-29(5,16-37)12-18(3)39/h6-7,10-11,13-14,17-18,39H,8-9,12,15-16H2,1-5H3,(H,32,33,35,36)
InChIKeyGLVOZGATRYMGDO-UHFFFAOYSA-N
MW551.64 g/mol
LogP5.16
Rot. Bonds8

About 1-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]propan-2-ol

1-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]propan-2-ol (PubChem CID 146327236) has the molecular formula C29H35F2N7O2 and a molecular weight of 551.64 g/mol. Its IUPAC name is 1-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]propan-2-ol
PubChem CID146327236
Molecular FormulaC29H35F2N7O2
Molecular Weight551.64 g/mol
Exact Mass551.28
IUPAC Name1-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]propan-2-ol
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCOC(C)(CC(C)O)C5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C29H35F2N7O2/c1-17(2)38-19(4)34-27-22(30)10-21(11-24(27)38)26-23(31)14-33-28(36-26)35-25-7-6-20(13-32-25)15-37-8-9-40-29(5,16-37)12-18(3)39/h6-7,10-11,13-14,17-18,39H,8-9,12,15-16H2,1-5H3,(H,32,33,35,36)
InChIKeyGLVOZGATRYMGDO-UHFFFAOYSA-N
XLogP5.16
TPSA101.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.64
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]propan-2-ol 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 1-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]propan-2-ol?
The IUPAC name of 1-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]propan-2-ol (CID 146327236) is 1-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]propan-2-ol?
The canonical SMILES for 1-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]propan-2-ol is Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCOC(C)(CC(C)O)C5)cn4)ncc3F)cc2n1C(C)C.
What is the InChIKey of 1-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]propan-2-ol?
The InChIKey is GLVOZGATRYMGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F2N7O2/c1-17(2)38-19(4)34-27-22(30)10-21(11-24(27)38)26-23(31)14-33-28(36-26)35-25-7-6-20(13-32-25)15-37-8-9-40-29(5,16-37)12-18(3)39/h6-7,10-11,13-14,17-18,39H,8-9,12,15-16H2,1-5H3,(H,32,33,35,36).
What are the key properties of 1-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]propan-2-ol?
1-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]propan-2-ol has a molecular weight of 551.64 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]propan-2-ol is sourced from PubChem (CID 146327236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).