6-[[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]amino]-N-hydroxypyridine-3-carboxamide

C31H32F2N10O2 — CID 152934832

IUPAC6-[[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]amino]-N-hydroxypyridine-3-carboxamide
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc(N5CCC(Nc6ccc(C(=O)NO)cn6)CC5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C31H32F2N10O2/c1-17(2)43-18(3)37-29-23(32)12-20(13-25(29)43)28-24(33)16-36-31(40-28)39-27-7-5-22(15-35-27)42-10-8-21(9-11-42)38-26-6-4-19(14-34-26)30(44)41-45/h4-7,12-17,21,45H,8-11H2,1-3H3,(H,34,38)(H,41,44)(H,35,36,39,40)
InChIKeyULQZEFGMNSYUPR-UHFFFAOYSA-N
MW614.66 g/mol
LogP5.39
Rot. Bonds8

About 6-[[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]amino]-N-hydroxypyridine-3-carboxamide

6-[[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]amino]-N-hydroxypyridine-3-carboxamide (PubChem CID 152934832) has the molecular formula C31H32F2N10O2 and a molecular weight of 614.66 g/mol. Its IUPAC name is 6-[[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]amino]-N-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]amino]-N-hydroxypyridine-3-carboxamide
PubChem CID152934832
Molecular FormulaC31H32F2N10O2
Molecular Weight614.66 g/mol
Exact Mass614.27
IUPAC Name6-[[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]amino]-N-hydroxypyridine-3-carboxamide
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc(N5CCC(Nc6ccc(C(=O)NO)cn6)CC5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C31H32F2N10O2/c1-17(2)43-18(3)37-29-23(32)12-20(13-25(29)43)28-24(33)16-36-31(40-28)39-27-7-5-22(15-35-27)42-10-8-21(9-11-42)38-26-6-4-19(14-34-26)30(44)41-45/h4-7,12-17,21,45H,8-11H2,1-3H3,(H,34,38)(H,41,44)(H,35,36,39,40)
InChIKeyULQZEFGMNSYUPR-UHFFFAOYSA-N
XLogP5.39
TPSA146.01 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500614.66
LogP ≤ 55.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]amino]-N-hydroxypyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]amino]-N-hydroxypyridine-3-carboxamide?
The IUPAC name of 6-[[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]amino]-N-hydroxypyridine-3-carboxamide (CID 152934832) is 6-[[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]amino]-N-hydroxypyridine-3-carboxamide.
What is the SMILES notation for 6-[[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]amino]-N-hydroxypyridine-3-carboxamide?
The canonical SMILES for 6-[[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]amino]-N-hydroxypyridine-3-carboxamide is Cc1nc2c(F)cc(-c3nc(Nc4ccc(N5CCC(Nc6ccc(C(=O)NO)cn6)CC5)cn4)ncc3F)cc2n1C(C)C.
What is the InChIKey of 6-[[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]amino]-N-hydroxypyridine-3-carboxamide?
The InChIKey is ULQZEFGMNSYUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N10O2/c1-17(2)43-18(3)37-29-23(32)12-20(13-25(29)43)28-24(33)16-36-31(40-28)39-27-7-5-22(15-35-27)42-10-8-21(9-11-42)38-26-6-4-19(14-34-26)30(44)41-45/h4-7,12-17,21,45H,8-11H2,1-3H3,(H,34,38)(H,41,44)(H,35,36,39,40).
What are the key properties of 6-[[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]amino]-N-hydroxypyridine-3-carboxamide?
6-[[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]amino]-N-hydroxypyridine-3-carboxamide has a molecular weight of 614.66 g/mol, XLogP of 5.39, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]amino]-N-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 152934832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).