5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(2-pyrrolidin-1-ylethyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine

C32H40F2N8O — CID 146327262

IUPAC5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(2-pyrrolidin-1-ylethyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@](C)(CCN6CCCC6)C5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C32H40F2N8O/c1-21(2)42-22(3)37-30-25(33)15-24(16-27(30)42)29-26(34)18-36-31(39-29)38-28-8-7-23(17-35-28)19-41-13-14-43-32(4,20-41)9-12-40-10-5-6-11-40/h7-8,15-18,21H,5-6,9-14,19-20H2,1-4H3,(H,35,36,38,39)/t32-/m1/s1
InChIKeyORUOTKIAWNEBSL-JGCGQSQUSA-N
MW590.72 g/mol
LogP5.88
Rot. Bonds9

About 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(2-pyrrolidin-1-ylethyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine

5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(2-pyrrolidin-1-ylethyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 146327262) has the molecular formula C32H40F2N8O and a molecular weight of 590.72 g/mol. Its IUPAC name is 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(2-pyrrolidin-1-ylethyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(2-pyrrolidin-1-ylethyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID146327262
Molecular FormulaC32H40F2N8O
Molecular Weight590.72 g/mol
Exact Mass590.33
IUPAC Name5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(2-pyrrolidin-1-ylethyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@](C)(CCN6CCCC6)C5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C32H40F2N8O/c1-21(2)42-22(3)37-30-25(33)15-24(16-27(30)42)29-26(34)18-36-31(39-29)38-28-8-7-23(17-35-28)19-41-13-14-43-32(4,20-41)9-12-40-10-5-6-11-40/h7-8,15-18,21H,5-6,9-14,19-20H2,1-4H3,(H,35,36,38,39)/t32-/m1/s1
InChIKeyORUOTKIAWNEBSL-JGCGQSQUSA-N
XLogP5.88
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.72
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(2-pyrrolidin-1-ylethyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine 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-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(2-pyrrolidin-1-ylethyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(2-pyrrolidin-1-ylethyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine (CID 146327262) is 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(2-pyrrolidin-1-ylethyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(2-pyrrolidin-1-ylethyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(2-pyrrolidin-1-ylethyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine is Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@](C)(CCN6CCCC6)C5)cn4)ncc3F)cc2n1C(C)C.
What is the InChIKey of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(2-pyrrolidin-1-ylethyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is ORUOTKIAWNEBSL-JGCGQSQUSA-N. The full InChI is InChI=1S/C32H40F2N8O/c1-21(2)42-22(3)37-30-25(33)15-24(16-27(30)42)29-26(34)18-36-31(39-29)38-28-8-7-23(17-35-28)19-41-13-14-43-32(4,20-41)9-12-40-10-5-6-11-40/h7-8,15-18,21H,5-6,9-14,19-20H2,1-4H3,(H,35,36,38,39)/t32-/m1/s1.
What are the key properties of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(2-pyrrolidin-1-ylethyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine?
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(2-pyrrolidin-1-ylethyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 590.72 g/mol, XLogP of 5.88, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(2-pyrrolidin-1-ylethyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 146327262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).