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

About 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

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 (PubChem CID 162770801) has the molecular formula C32H34ClF2N9O2 and a molecular weight of 650.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	162770801
Molecular Formula	C32H34ClF2N9O2
Molecular Weight	650.13 g/mol
Exact Mass	649.25
IUPAC Name	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
SMILES	Cc1nc2c(F)cc(-c3nc(Nc4ccc(N5CCN(Cc6ccc(C(=O)NO)cc6)CC5)cn4)ncc3F)cc2n1C(C)C.Cl
InChI	InChI=1S/C32H33F2N9O2.ClH/c1-19(2)43-20(3)37-30-25(33)14-23(15-27(30)43)29-26(34)17-36-32(39-29)38-28-9-8-24(16-35-28)42-12-10-41(11-13-42)18-21-4-6-22(7-5-21)31(44)40-45;/h4-9,14-17,19,45H,10-13,18H2,1-3H3,(H,40,44)(H,35,36,38,39);1H
InChIKey	WBCDYCRWTRGVSG-UHFFFAOYSA-N
XLogP	5.66
TPSA	124.33 Å²
H-Bond Donors	3
H-Bond Acceptors	10
Rotatable Bonds	8
Heavy Atoms	46
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.13
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1nc2c(F)cc(-c3nc(Nc4ccc(N5CCN(Cc6ccc(C(=O)NO)cc6)CC5)cn4)ncc3F)cc2n1C(C)C.Cl.

What is the InChIKey of 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?

The InChIKey is WBCDYCRWTRGVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F2N9O2.ClH/c1-19(2)43-20(3)37-30-25(33)14-23(15-27(30)43)29-26(34)17-36-32(39-29)38-28-9-8-24(16-35-28)42-12-10-41(11-13-42)18-21-4-6-22(7-5-21)31(44)40-45;/h4-9,14-17,19,45H,10-13,18H2,1-3H3,(H,40,44)(H,35,36,38,39);1H.

What are the key properties of 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?

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 has a molecular weight of 650.13 g/mol, XLogP of 5.66, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 162770801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).