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

C21H19F2N7O2 — CID 149494900

IUPAC2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-hydroxypyridine-4-carboxamide
SMILESCc1nc2c(F)cc(-c3nc(Nc4cc(C(=O)NO)ccn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C21H19F2N7O2/c1-10(2)30-11(3)26-19-14(22)6-13(7-16(19)30)18-15(23)9-25-21(28-18)27-17-8-12(4-5-24-17)20(31)29-32/h4-10,32H,1-3H3,(H,29,31)(H,24,25,27,28)
InChIKeyZFVBEQZSPYFLJB-UHFFFAOYSA-N
MW439.43 g/mol
LogP3.92
Rot. Bonds5

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

2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-hydroxypyridine-4-carboxamide (PubChem CID 149494900) has the molecular formula C21H19F2N7O2 and a molecular weight of 439.43 g/mol. Its IUPAC name is 2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-hydroxypyridine-4-carboxamide
PubChem CID149494900
Molecular FormulaC21H19F2N7O2
Molecular Weight439.43 g/mol
Exact Mass439.16
IUPAC Name2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-hydroxypyridine-4-carboxamide
SMILESCc1nc2c(F)cc(-c3nc(Nc4cc(C(=O)NO)ccn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C21H19F2N7O2/c1-10(2)30-11(3)26-19-14(22)6-13(7-16(19)30)18-15(23)9-25-21(28-18)27-17-8-12(4-5-24-17)20(31)29-32/h4-10,32H,1-3H3,(H,29,31)(H,24,25,27,28)
InChIKeyZFVBEQZSPYFLJB-UHFFFAOYSA-N
XLogP3.92
TPSA117.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl]-N-hydroxybenzamide;hydrochloride
CID 162770801
[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methanone
CID 118860125
[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 118860127
[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyrimidin-5-yl]-piperazin-1-ylmethanone
CID 118700827
2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]acetic acid
CID 155229376
(4-ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridazin-3-yl]methanone
CID 118700841
1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridine-3-carbonyl]piperazin-2-one
CID 118859690
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-pyrrolidin-1-ylethyl]-2-pyridinyl]pyrimidin-2-amine
CID 146604087
(4-ethylpiperazin-1-yl)-[5-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyrazin-2-yl]methanone
CID 118700790
N-[5-[1-(1-ethyl-4-fluoropiperidin-4-yl)ethenyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 146604494
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1-pyrrolidin-3-ylethenyl)-2-pyridinyl]pyrimidin-2-amine
CID 146604476
(3,4-dimethyl-1,4-diazepan-1-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methanone
CID 134343853

Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-hydroxypyridine-4-carboxamide?
The IUPAC name of 2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-hydroxypyridine-4-carboxamide (CID 149494900) is 2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-hydroxypyridine-4-carboxamide.
What is the SMILES notation for 2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-hydroxypyridine-4-carboxamide?
The canonical SMILES for 2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-hydroxypyridine-4-carboxamide is Cc1nc2c(F)cc(-c3nc(Nc4cc(C(=O)NO)ccn4)ncc3F)cc2n1C(C)C.
What is the InChIKey of 2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-hydroxypyridine-4-carboxamide?
The InChIKey is ZFVBEQZSPYFLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7O2/c1-10(2)30-11(3)26-19-14(22)6-13(7-16(19)30)18-15(23)9-25-21(28-18)27-17-8-12(4-5-24-17)20(31)29-32/h4-10,32H,1-3H3,(H,29,31)(H,24,25,27,28).
What are the key properties of 2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-hydroxypyridine-4-carboxamide?
2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-hydroxypyridine-4-carboxamide has a molecular weight of 439.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 149494900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).