[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanol

C30H36F2N8O — CID 134343926

IUPAC[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanol
SMILESCc1nc(Nc2ncc(F)c(-c3cc(F)c4nc(C)n(C(C)C)c4c3)n2)ccc1C(O)N1CCC2(CC1)CN(C)C2
InChIInChI=1S/C30H36F2N8O/c1-17(2)40-19(4)35-27-22(31)12-20(13-24(27)40)26-23(32)14-33-29(37-26)36-25-7-6-21(18(3)34-25)28(41)39-10-8-30(9-11-39)15-38(5)16-30/h6-7,12-14,17,28,41H,8-11,15-16H2,1-5H3,(H,33,34,36,37)
InChIKeyINKNMAGFZYTQGE-UHFFFAOYSA-N
MW562.67 g/mol
LogP5.13
Rot. Bonds6

About [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanol

[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanol (PubChem CID 134343926) has the molecular formula C30H36F2N8O and a molecular weight of 562.67 g/mol. Its IUPAC name is [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanol.

Molecular Properties

Compound Name[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanol
PubChem CID134343926
Molecular FormulaC30H36F2N8O
Molecular Weight562.67 g/mol
Exact Mass562.30
IUPAC Name[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanol
SMILESCc1nc(Nc2ncc(F)c(-c3cc(F)c4nc(C)n(C(C)C)c4c3)n2)ccc1C(O)N1CCC2(CC1)CN(C)C2
InChIInChI=1S/C30H36F2N8O/c1-17(2)40-19(4)35-27-22(31)12-20(13-24(27)40)26-23(32)14-33-29(37-26)36-25-7-6-21(18(3)34-25)28(41)39-10-8-30(9-11-39)15-38(5)16-30/h6-7,12-14,17,28,41H,8-11,15-16H2,1-5H3,(H,33,34,36,37)
InChIKeyINKNMAGFZYTQGE-UHFFFAOYSA-N
XLogP5.13
TPSA95.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanol?
The IUPAC name of [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanol (CID 134343926) is [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanol.
What is the SMILES notation for [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanol?
The canonical SMILES for [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanol is Cc1nc(Nc2ncc(F)c(-c3cc(F)c4nc(C)n(C(C)C)c4c3)n2)ccc1C(O)N1CCC2(CC1)CN(C)C2.
What is the InChIKey of [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanol?
The InChIKey is INKNMAGFZYTQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F2N8O/c1-17(2)40-19(4)35-27-22(31)12-20(13-24(27)40)26-23(32)14-33-29(37-26)36-25-7-6-21(18(3)34-25)28(41)39-10-8-30(9-11-39)15-38(5)16-30/h6-7,12-14,17,28,41H,8-11,15-16H2,1-5H3,(H,33,34,36,37).
What are the key properties of [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanol?
[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanol has a molecular weight of 562.67 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanol is sourced from PubChem (CID 134343926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).